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Sample records for 2d hubbard model

  1. Bond Order Correlations in the 2D Hubbard Model

    NASA Astrophysics Data System (ADS)

    Moore, Conrad; Abu Asal, Sameer; Yang, Shuxiang; Moreno, Juana; Jarrell, Mark

    We use the dynamical cluster approximation to study the bond correlations in the Hubbard model with next nearest neighbor (nnn) hopping to explore the region of the phase diagram where the Fermi liquid phase is separated from the pseudogap phase by the Lifshitz line at zero temperature. We implement the Hirsch-Fye cluster solver that has the advantage of providing direct access to the computation of the bond operators via the decoupling field. In the pseudogap phase, the parallel bond order susceptibility is shown to persist at zero temperature while it vanishes for the Fermi liquid phase which allows the shape of the Lifshitz line to be mapped as a function of filling and nnn hopping. Our cluster solver implements NVIDIA's CUDA language to accelerate the linear algebra of the Quantum Monte Carlo to help alleviate the sign problem by allowing for more Monte Carlo updates to be performed in a reasonable amount of computation time. Work supported by the NSF EPSCoR Cooperative Agreement No. EPS-1003897 with additional support from the Louisiana Board of Regents.

  2. Disorder and interaction in 2D: exact diagonalization study of the Anderson-Hubbard-Mott model.

    PubMed

    Kotlyar, R; Das Sarma, S

    2001-03-12

    We investigate, by numerically calculating the charge stiffness, the effects of random diagonal disorder and electron-electron interaction on the nature of the ground state in the 2D Hubbard model through the finite-size exact diagonalization technique. By comparing with the corresponding 1D Hubbard model results and by using heuristic arguments we conclude that it is unlikely that there is a 2D metal-insulator quantum phase transition, although the effect of interaction in some range of parameters is to substantially enhance the noninteracting charge stiffness.

  3. Frustrating a correlated superconductor: the 2D Attractive Hubbard Model in an external magnetic field

    NASA Astrophysics Data System (ADS)

    Zhao, Hongbo; Engelbrecht, Jan R.

    2000-03-01

    At the Mean Field level (G. Murthy and R. Shankar, J. Phys. Condens. Matter, 7) (1995), the frustration due to an external field first makes the uniform BCS ground state unstable to an incommensurate (qne0) superconducting state and then to a spin-polarized Fermi Liquid state. Our interest is how fluctuations modify this picture, as well as the normal state of this system which has a quantum critical point. We use the Fluctuation-Exchange Approximation for the 2D Attractive Hubbard Model, to study this system beyond the Mean-Field level. Earlier work in zero field has shown that this numerical method successfully captures the critical scaling of the KT superconducting transition upon cooling in the normal state. Here we investigate how the pair-breaking external field modifies this picture, and the development of incommensurate pairing.

  4. Stability of superfluid phases in the 2D spin-polarized attractive Hubbard model

    NASA Astrophysics Data System (ADS)

    Kujawa-Cichy, A.; Micnas, R.

    2011-08-01

    We study the evolution from the weak coupling (BCS-like limit) to the strong coupling limit of tightly bound local pairs (LPs) with increasing attraction, in the presence of the Zeeman magnetic field (h) for d=2, within the spin-polarized attractive Hubbard model. The broken symmetry Hartree approximation as well as the strong coupling expansion are used. We also apply the Kosterlitz-Thouless (KT) scenario to determine the phase coherence temperatures. For spin-independent hopping integrals (t↑=t↓), we find no stable homogeneous polarized superfluid (SCM) state in the ground state for the strong attraction and obtain that for a two-component Fermi system on a 2D lattice with population imbalance, phase separation (PS) is favoured for a fixed particle concentration, even on the LP (BEC) side. We also examine the influence of spin-dependent hopping integrals (mass imbalance) on the stability of the SCM phase. We find a topological quantum phase transition (Lifshitz type) from the unpolarized superfluid phase (SC0) to SCM and tricritical points in the h-|U| and t↑/t↓-|U| ground-state phase diagrams. We also construct the finite temperature phase diagrams for both t↑=t↓ and t↑≠t↓ and analyze the possibility of occurrence of a spin-polarized KT superfluid.

  5. Hubbard Model study of Off Diagonally Confined fermions in a 2D Optical Lattice

    NASA Astrophysics Data System (ADS)

    Cone, Dave; Chiesa, Simone; Scalettar, Richard; Batrouni, George

    2010-03-01

    We report Quantum Monte Carlo simulations of a Hubbard Hamiltonian which incorporates a proposed new method for confining atoms in an optical lattice employing an inhomogeneous array of hopping matrix elements which trap atoms by going to zero at the lattice edges. This has been termed ``Off Diagonal Confinement (ODC)'' [1] to distinguish it from the more conventional use of a parabolic trap coupling to (diagonal) density operators. It has the advantage of producing systems which, while still being inhomogeneous, are entirely in the Mott phase, and allow simulations which are free of the sign problem at low temperatures. We analyze the effects of using ODC traps on the local density, density fluctuation, spin, and pairing correlation functions. Finally, we will discuss the advantages and importance of this new confinement technique for modeling correlated systems. Research supported by the Department of Energy, Office of Science SCIDAC program, DOE-DE-FC0206ER25793. [1] V.G. Rousseau et al., arXiv:0909.3543

  6. Functional renormalization group and bosonization as a solver for 2D fermionic Hubbard models

    NASA Astrophysics Data System (ADS)

    Schuetz, Florian; Marston, Brad

    2007-03-01

    The functional renormalization group (fRG) provides an unbiased framework to analyze competing instabilities in two-dimensional electron systems and has been used extensively over the past decade [1]. In order to obtain an equally unbiased tool to interprete the flow, we investigate the combination of a many-patch, one-loop calculation with higher dimensional bosonization [2] of the resulting low-energy action. Subsequently a semi-classical approximation [3] can be used to describe the resulting phases. The spinless Hubbard model on a square lattice with nearest neighbor repulsion is investigated as a test case. [1] M. Salmhofer and C. Honerkamp, Prog. Theor. Phys. 105, 1 (2001). [2] A. Houghton, H.-J. Kwon, J. B. Marston, Adv.Phys. 49, 141 (2000); P. Kopietz, Bosonization of interacting fermions in arbitrary dimensions, (Springer, Berlin, 1997). [3] H.-H. Lin, L. Balents, M. P. A. Fisher, Phys. Rev. B 56, 6569 6593 (1997); J. O. Fjaerestad, J. B. Marston, U. Schollwoeck, Ann. Phys. (N.Y.) 321, 894 (2006).

  7. Numerical simulations - Some results for the 2- and 3-D Hubbard models and a 2-D electron phonon model

    NASA Technical Reports Server (NTRS)

    Scalapino, D. J.; Sugar, R. L.; White, S. R.; Bickers, N. E.; Scalettar, R. T.

    1989-01-01

    Numerical simulations on the half-filled three-dimensional Hubbard model clearly show the onset of Neel order. Simulations of the two-dimensional electron-phonon Holstein model show the competition between the formation of a Peierls-CDW state and a superconducting state. However, the behavior of the partly filled two-dimensional Hubbard model is more difficult to determine. At half-filling, the antiferromagnetic correlations grow as T is reduced. Doping away from half-filling suppresses these correlations, and it is found that there is a weak attractive pairing interaction in the d-wave channel. However, the strength of the pair field susceptibility is weak at the temperatures and lattice sizes that have been simulated, and the nature of the low-temperature state of the nearly half-filled Hubbard model remains open.

  8. Ferromagnetism in Hubbard models: Low density route

    SciTech Connect

    Mueller-Hartmann, E.

    1995-05-01

    Thirty years ago the Hubbard model was introduced by Gutzwiller, Hubbard and Kanamori with the main purpose of mimicking the ferromagnetism of transition metals. Soon after, Nagaoka and Thouless pointed out a basic mechanism for ferromagnetism in strongly correlated electron systems by studying the motion of a single hole in a half-filled Hubbard model. This important work was hoped to shed light onto metallic ferromagnetism from the low doping regime. Unfortunately, this low doping route towards ferromagnetism has not been successful as far as rigorous results for finite doping concentrations are concerned. In the work presented, we start from the opposite limit of low particle concentrations. In this limit we provide the first proof of a fully polarized metallic ground state for a Hubbard model. The proof proceeds by mapping Hubbard {open_quotes}zigzag{close_quotes} chains onto a continuum model with an additional degree of freedom and local first Hund`s rule coupling. For this model the maximum total spin multiplet is shown to be the unique ground state for infinite Hubbard coupling. Our proof may open a low density route towards the understanding of the ferromagnetism of Hubbard models.

  9. An algebraic approach to the Hubbard model

    NASA Astrophysics Data System (ADS)

    de Leeuw, Marius; Regelskis, Vidas

    2016-02-01

    We study the algebraic structure of an integrable Hubbard-Shastry type lattice model associated with the centrally extended su (2 | 2) superalgebra. This superalgebra underlies Beisert's AdS/CFT worldsheet R-matrix and Shastry's R-matrix. The considered model specializes to the one-dimensional Hubbard model in a certain limit. We demonstrate that Yangian symmetries of the R-matrix specialize to the Yangian symmetry of the Hubbard model found by Korepin and Uglov. Moreover, we show that the Hubbard model Hamiltonian has an algebraic interpretation as the so-called secret symmetry. We also discuss Yangian symmetries of the A and B models introduced by Frolov and Quinn.

  10. Fermionic Symmetry-Protected Topological Phase in a Two-Dimensional Hubbard Model.

    PubMed

    Chen, Cheng-Chien; Muechler, Lukas; Car, Roberto; Neupert, Titus; Maciejko, Joseph

    2016-08-26

    We study the two-dimensional (2D) Hubbard model using exact diagonalization for spin-1/2 fermions on the triangular and honeycomb lattices decorated with a single hexagon per site. In certain parameter ranges, the Hubbard model maps to a quantum compass model on those lattices. On the triangular lattice, the compass model exhibits collinear stripe antiferromagnetism, implying d-density wave charge order in the original Hubbard model. On the honeycomb lattice, the compass model has a unique, quantum disordered ground state that transforms nontrivially under lattice reflection. The ground state of the Hubbard model on the decorated honeycomb lattice is thus a 2D fermionic symmetry-protected topological phase. This state-protected by time-reversal and reflection symmetries-cannot be connected adiabatically to a free-fermion topological phase.

  11. Fermionic Symmetry-Protected Topological Phase in a Two-Dimensional Hubbard Model

    SciTech Connect

    Chen, Cheng-Chien; Muechler, Lukas; Car, Roberto; Neupert, Titus; Maciejko, Joseph

    2016-08-25

    We study the two-dimensional (2D) Hubbard model using exact diagonalization for spin-1/2 fermions on the triangular and honeycomb lattices decorated with a single hexagon per site. In certain parameter ranges, the Hubbard model maps to a quantum compass model on those lattices. On the triangular lattice, the compass model exhibits collinear stripe antiferromagnetism, implying d-density wave charge order in the original Hubbard model. On the honeycomb lattice, the compass model has a unique, quantum disordered ground state that transforms nontrivially under lattice reflection. The ground state of the Hubbard model on the decorated honeycomb lattice is thus a 2D fermionic symmetry-protected topological phase. This state—protected by time-reversal and reflection symmetries—cannot be connected adiabatically to a free-fermion topological phase.

  12. Fermionic Symmetry-Protected Topological Phase in a Two-Dimensional Hubbard Model

    DOE PAGES

    Chen, Cheng-Chien; Muechler, Lukas; Car, Roberto; ...

    2016-08-25

    We study the two-dimensional (2D) Hubbard model using exact diagonalization for spin-1/2 fermions on the triangular and honeycomb lattices decorated with a single hexagon per site. In certain parameter ranges, the Hubbard model maps to a quantum compass model on those lattices. On the triangular lattice, the compass model exhibits collinear stripe antiferromagnetism, implying d-density wave charge order in the original Hubbard model. On the honeycomb lattice, the compass model has a unique, quantum disordered ground state that transforms nontrivially under lattice reflection. The ground state of the Hubbard model on the decorated honeycomb lattice is thus a 2D fermionicmore » symmetry-protected topological phase. This state—protected by time-reversal and reflection symmetries—cannot be connected adiabatically to a free-fermion topological phase.« less

  13. Thermalization of Bipartite Bose-Hubbard Models.

    PubMed

    Khripkov, Christine; Cohen, Doron; Vardi, Amichay

    2016-05-19

    We study the time evolution of a bipartite Bose-Hubbard model prepared far from equilibrium. When the classical dynamics is chaotic, we observe ergodization of the number distribution and a constant increase of the entanglement entropy between the constituent subsystems until it saturates to thermal equilibrium values. No thermalization is obtained when the system is launched in quasi-integrable phase space regions.

  14. Mott transition in the Hubbard model

    SciTech Connect

    Shastry, B.S. )

    1992-10-10

    In this article, the author discuss W. Kohn's criterion for a metal insulator transition, within the framework of a one-band Hubbard model. This and related ideas are applied to 1-dimensional Hubbard systems, and some interesting miscellaneous results discussed. The Jordan-Wigner transformation converting the two species of fermions to two species of hardcore bosons is performed in detail, and the extra phases arising from odd-even effects are explicitly derived. Bosons are shown to prefer zero flux (i.e., diamagnetism) and the corresponding happy fluxes: for the fermions identified. A curios result following from the interplay between orbital diamagnetism and spin polarization is highlighted. A spin-statistics like theorem, showing that the anticommutation relations between fermions of opposite spin are crucial to obtain the SU(2) invariance is pointed out.

  15. Spectral properties near the Mott transition in the two-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Kohno, Masanori

    2013-03-01

    Single-particle excitations near the Mott transition in the two-dimensional (2D) Hubbard model are investigated by using cluster perturbation theory. The Mott transition is characterized by the loss of the spectral weight from the dispersing mode that leads continuously to the spin-wave excitation of the Mott insulator. The origins of the dominant modes of the 2D Hubbard model near the Mott transition can be traced back to those of the one-dimensional Hubbard model. Various anomalous spectral features observed in cuprate high-temperature superconductors, such as the pseudogap, Fermi arc, flat band, doping-induced states, hole pockets, and spinon-like and holon-like branches, as well as giant kink and waterfall in the dispersion relation, are explained in a unified manner as properties near the Mott transition in a 2D system.

  16. The dissipative Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Kordas, G.; Witthaut, D.; Buonsante, P.; Vezzani, A.; Burioni, R.; Karanikas, A. I.; Wimberger, S.

    2015-11-01

    Open many-body quantum systems have attracted renewed interest in the context of quantum information science and quantum transport with biological clusters and ultracold atomic gases. The physical relevance in many-particle bosonic systems lies in the realization of counter-intuitive transport phenomena and the stochastic preparation of highly stable and entangled many-body states due to engineered dissipation. We review a variety of approaches to describe an open system of interacting ultracold bosons which can be modeled by a tight-binding Hubbard approximation. Going along with the presentation of theoretical and numerical techniques, we present a series of results in diverse setups, based on a master equation description of the dissipative dynamics of ultracold bosons in a one-dimensional lattice. Next to by now standard numerical methods such as the exact unravelling of the master equation by quantum jumps for small systems and beyond mean-field expansions for larger ones, we present a coherent-state path integral formalism based on Feynman-Vernon theory applied to a many-body context.

  17. Non-standard Hubbard models in optical lattices: a review.

    PubMed

    Dutta, Omjyoti; Gajda, Mariusz; Hauke, Philipp; Lewenstein, Maciej; Lühmann, Dirk-Sören; Malomed, Boris A; Sowiński, Tomasz; Zakrzewski, Jakub

    2015-06-01

    Originally, the Hubbard model was derived for describing the behavior of strongly correlated electrons in solids. However, for over a decade now, variations of it have also routinely been implemented with ultracold atoms in optical lattices, allowing their study in a clean, essentially defect-free environment. Here, we review some of the vast literature on this subject, with a focus on more recent non-standard forms of the Hubbard model. After giving an introduction to standard (fermionic and bosonic) Hubbard models, we discuss briefly common models for mixtures, as well as the so-called extended Bose-Hubbard models, that include interactions between neighboring sites, next-neighbor sites, and so on. The main part of the review discusses the importance of additional terms appearing when refining the tight-binding approximation for the original physical Hamiltonian. Even when restricting the models to the lowest Bloch band is justified, the standard approach neglects the density-induced tunneling (which has the same origin as the usual on-site interaction). The importance of these contributions is discussed for both contact and dipolar interactions. For sufficiently strong interactions, the effects related to higher Bloch bands also become important even for deep optical lattices. Different approaches that aim at incorporating these effects, mainly via dressing the basis, Wannier functions with interactions, leading to effective, density-dependent Hubbard-type models, are reviewed. We discuss also examples of Hubbard-like models that explicitly involve higher p orbitals, as well as models that dynamically couple spin and orbital degrees of freedom. Finally, we review mean-field nonlinear Schrödinger models of the Salerno type that share with the non-standard Hubbard models nonlinear coupling between the adjacent sites. In that part, discrete solitons are the main subject of consideration. We conclude by listing some open problems, to be addressed in the future.

  18. Quantum Paramagnet in a π Flux Triangular Lattice Hubbard Model

    NASA Astrophysics Data System (ADS)

    Rachel, Stephan; Laubach, Manuel; Reuther, Johannes; Thomale, Ronny

    2015-04-01

    We propose the π flux triangular lattice Hubbard model (π THM) as a prototypical setup to stabilize magnetically disordered quantum states of matter in the presence of charge fluctuations. The quantum paramagnetic domain of the π THM that we identify for intermediate Hubbard U is framed by a Dirac semimetal for weak coupling and by 120° Néel order for strong coupling. Generalizing the Klein duality from spin Hamiltonians to tight-binding models, the π THM maps to a Hubbard model which corresponds to the (JH,JK)=(-1 ,2 ) Heisenberg-Kitaev model in its strong coupling limit. The π THM provides a promising microscopic testing ground for exotic finite-U spin liquid ground states amenable to numerical investigation.

  19. Electronic correlations in the Hubbard model on a bi-partite lattice

    NASA Astrophysics Data System (ADS)

    Ameen, Wissam A.; Walet, Niels R.; Xian, Yang

    2017-03-01

    In this work we study the Hubbard model on a bi-partite lattice using the coupled-cluster method (CCM). We first investigate how to implement this approach in order to reproduce the lack of magnetic order in the 1D model, as predicted by the exact Bethe-Ansatz solution. This result can only be reproduced if we include an algebraic correlation in some of the coupled-cluster model coefficients. Using the correspondence between the Heisenberg model and the Hubbard model in the large-coupling limit, we use very accurate results for the CCM applied to the Heisenberg and its generalisation, the XXZ model, to determine CCM coefficients with the correct properties. Using the same approach we then study the 2D Hubbard model on a square and a honeycomb lattice, both of which can be thought of as simplified models of real 2D materials. We analyse the charge and spin excitations, and show that with care we can obtain good results.

  20. Improved Full Configuration Interaction Monte Carlo for the Hubbard Model

    NASA Astrophysics Data System (ADS)

    Changlani, Hitesh; Holmes, Adam; Petruzielo, Frank; Chan, Garnet; Henley, C. L.; Umrigar, C. J.

    2012-02-01

    We consider the recently proposed full configuration interaction quantum Monte Carlo (FCI-QMC) method and its ``initiator'' extension, both of which promise to ameliorate the sign problem by utilizing the cancellation of positive and negative walkers in the Hilbert space of Slater determinants. While the method has been primarily used for quantum chemistry by A.Alavi and his co-workers [1,2], its application to lattice models in solid state physics has not been tested. We propose an improvement in the form of choosing a basis to make the wavefunction more localized in Fock space, which potentially also reduces the sign problem. We perform calculations on the 4x4 and 8x8 Hubbard models in real and momentum space and in a basis motivated by the reduced density matrix of a 2x2 real space patch obtained from the exact diagonalization of a larger system in which it is embedded. We discuss our results for a range of fillings and U/t and compare them with previous Auxiliary Field QMC and Fixed Node Green's Function Monte Carlo calculations. [4pt] [1] George Booth, Alex Thom, Ali Alavi, J Chem Phys, 131, 050106,(2009)[0pt] [2] D Cleland, GH Booth, Ali Alavi, J Chem Phys 132, 041103, (2010)

  1. Pseudogaps in the three-band Hubbard model

    NASA Astrophysics Data System (ADS)

    Sherman, Alexei

    2016-04-01

    Using the strong coupling diagram technique, the energy spectrum of the three-band Hubbard model is investigated. In these calculations, the series in powers of the copper-oxygen hybridization for the irreducible part is approximated by two lowest-order terms. For parameters of hole-doped cuprates the calculated energy spectrum consists of lower and upper Hubbard subbands of predominantly copper nature, oxygen bands with some admixture of copper states and the Zhang-Rice states of mixed nature. The spectrum contains two pseudogaps, the lower of which separates the Hubbard subband from Zhang-Rice and oxygen bands. The pseudogaps arise due to multiple reabsorption of carriers in states with double occupancy of sites by holes or electrons.

  2. Critical points of the anyon-Hubbard model

    NASA Astrophysics Data System (ADS)

    Arcila-Forero, J.; Franco, R.; Silva-Valencia, J.

    2016-07-01

    Anyons are particles with fractional statistics that exhibit a nontrivial change in the wave function under an exchange of particles. Anyons can be considered to be a general category of particles that interpolate between fermions and bosons. We determined the position of the critical points of the one-dimensional anyon-Hubbard model, which was mapped to a modified Bose-Hubbard model where the tunneling depends on the local density and the interchange angle. We studied the latter model by using the density-matrix renormalization-group method and observed that gapped (Mott insulator) and gapless (superfluid) phases characterized the phase diagram, regardless of the value of the statistical angle. The phase diagram for higher densities was calculated and showed that the Mott lobes increase (decrease) as a function of the statistical angle (global density). The position of the critical point separating the gapped and gapless phases was found using quantum information tools, namely the block von Neumann entropy. We also studied the evolution of the critical point with the global density and the statistical angle and showed that the anyon-Hubbard model with a statistical angle θ =π /4 is in the same universality class as the Bose-Hubbard model with two-body interactions.

  3. Correlation driven dimensional reduction in a two orbital Hubbard model

    NASA Astrophysics Data System (ADS)

    Mukherjee, Anamitra; Patel, Niravkumar D.; Moreo, Adrianna; Dagotto, Elbio

    We apply a recently developed many-body technique that allows for the incorporation of thermal effects, to a two orbital Hubbard model of relevance for the pnictides. In this `Mean Field-Monte Carlo' (MF-MC) approach, we first perform a mean field (MF) decomposition of the Hubbard model and then treat the mean field parameters via the standard finite-temperature classical Monte Carlo (MC). We have earlier established that for the one orbital Hubbard model, this MF-MC approach provides remarkable improvement over simple finite-temperature mean field methods and is in good agreement with Determinantal Quantum Monte Carlo results. In this talk we will discuss our MC-MF results applied to the two orbital Hubbard model with degenerate dxz and dyz orbitals for the undoped pnictides. The onsite repulsion strength U vs. temperature phase diagram is rich and has a narrow window of nematicity above the N'eel temperature. Our main result is the discovery of a novel intermediate coupling regime characterized by an unexpected spontaneous dimensional reduction that renders one direction insulating and the other metallic.

  4. Dynamical mean field solution of the Bose-Hubbard model.

    PubMed

    Anders, Peter; Gull, Emanuel; Pollet, Lode; Troyer, Matthias; Werner, Philipp

    2010-08-27

    We present the effective action and self-consistency equations for the bosonic dynamical mean field approximation to the bosonic Hubbard model and show that it provides remarkably accurate phase diagrams and correlation functions. To solve the bosonic dynamical mean field equations, we use a continuous-time Monte Carlo method for bosonic impurity models based on a diagrammatic expansion in the hybridization and condensate coupling. This method is readily generalized to bosonic mixtures, spinful bosons, and Bose-Fermi mixtures.

  5. Magnon edge states in the hardcore- Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Owerre, S. A.

    2016-11-01

    Quantum Monte Carlo (QMC) simulation has uncovered nonzero Berry curvature and bosonic edge states in the hardcore-Bose-Hubbard model on the gapped honeycomb lattice. The competition between the chemical potential and staggered onsite potential leads to an interesting quantum phase diagram comprising the superfluid phase, Mott insulator, and charge density wave insulator. In this paper, we present a semiclassical perspective of this system by mapping to a spin-1/2 quantum XY model. We give an explicit analytical origin of the quantum phase diagram, the Berry curvatures, and the edge states using semiclassical approximations. We find very good agreement between the semiclassical analyses and the QMC results. Our results show that the topological properties of the hardcore-Bose-Hubbard model are the same as those of magnon in the corresponding quantum spin system. Our results are applicable to systems of ultracold bosonic atoms trapped in honeycomb optical lattices.

  6. Equation of State of the Two-Dimensional Hubbard Model

    NASA Astrophysics Data System (ADS)

    Cocchi, Eugenio; Miller, Luke A.; Drewes, Jan H.; Koschorreck, Marco; Pertot, Daniel; Brennecke, Ferdinand; Köhl, Michael

    2016-04-01

    The subtle interplay between kinetic energy, interactions, and dimensionality challenges our comprehension of strongly correlated physics observed, for example, in the solid state. In this quest, the Hubbard model has emerged as a conceptually simple, yet rich model describing such physics. Here we present an experimental determination of the equation of state of the repulsive two-dimensional Hubbard model over a broad range of interactions 0 ≲U /t ≲20 and temperatures, down to kBT /t =0.63 (2 ) using high-resolution imaging of ultracold fermionic atoms in optical lattices. We show density profiles, compressibilities, and double occupancies over the whole doping range, and, hence, our results constitute benchmarks for state-of-the-art theoretical approaches.

  7. Magnon edge states in the hardcore- Bose-Hubbard model.

    PubMed

    Owerre, S A

    2016-11-02

    Quantum Monte Carlo (QMC) simulation has uncovered nonzero Berry curvature and bosonic edge states in the hardcore-Bose-Hubbard model on the gapped honeycomb lattice. The competition between the chemical potential and staggered onsite potential leads to an interesting quantum phase diagram comprising the superfluid phase, Mott insulator, and charge density wave insulator. In this paper, we present a semiclassical perspective of this system by mapping to a spin-1/2 quantum XY model. We give an explicit analytical origin of the quantum phase diagram, the Berry curvatures, and the edge states using semiclassical approximations. We find very good agreement between the semiclassical analyses and the QMC results. Our results show that the topological properties of the hardcore-Bose-Hubbard model are the same as those of magnon in the corresponding quantum spin system. Our results are applicable to systems of ultracold bosonic atoms trapped in honeycomb optical lattices.

  8. Equation of State of the Two-Dimensional Hubbard Model.

    PubMed

    Cocchi, Eugenio; Miller, Luke A; Drewes, Jan H; Koschorreck, Marco; Pertot, Daniel; Brennecke, Ferdinand; Köhl, Michael

    2016-04-29

    The subtle interplay between kinetic energy, interactions, and dimensionality challenges our comprehension of strongly correlated physics observed, for example, in the solid state. In this quest, the Hubbard model has emerged as a conceptually simple, yet rich model describing such physics. Here we present an experimental determination of the equation of state of the repulsive two-dimensional Hubbard model over a broad range of interactions 0≲U/t≲20 and temperatures, down to k_{B}T/t=0.63(2) using high-resolution imaging of ultracold fermionic atoms in optical lattices. We show density profiles, compressibilities, and double occupancies over the whole doping range, and, hence, our results constitute benchmarks for state-of-the-art theoretical approaches.

  9. Condensed ground states of frustrated Bose-Hubbard models

    SciTech Connect

    Moeller, G.; Cooper, N. R.

    2010-12-15

    We study theoretically the ground states of two-dimensional Bose-Hubbard models which are frustrated by gauge fields. Motivated by recent proposals for the implementation of optically induced gauge potentials, we focus on the situation in which the imposed gauge fields give rise to a pattern of staggered fluxes of magnitude {alpha} and alternating in sign along one of the principal axes. For {alpha}=1/2 this model is equivalent to the case of uniform flux per plaquette n{sub {phi}=}1/2, which, in the hard-core limit, realizes the 'fully frustrated' spin-1/2 XY model. We show that the mean-field ground states of this frustrated Bose-Hubbard model typically break translational symmetry. Given the presence of both a non-zero superfluid fraction and translational symmetry breaking, these phases are supersolid. We introduce a general numerical technique to detect broken symmetry condensates in exact diagonalization studies. Using this technique we show that, for all cases studied, the ground state of the Bose-Hubbard model with staggered flux {alpha} is condensed, and we obtain quantitative determinations of the condensate fraction. We discuss the experimental consequences of our results. In particular, we explain the meaning of gauge invariance in ultracold-atom systems subject to optically induced gauge potentials and show how the ability to imprint phase patterns prior to expansion can allow very useful additional information to be extracted from expansion images.

  10. Extended Bose-Hubbard models with ultracold magnetic atoms.

    PubMed

    Baier, S; Mark, M J; Petter, D; Aikawa, K; Chomaz, L; Cai, Z; Baranov, M; Zoller, P; Ferlaino, F

    2016-04-08

    The Hubbard model underlies our understanding of strongly correlated materials. Whereas its standard form only comprises interactions between particles at the same lattice site, extending it to encompass long-range interactions is predicted to profoundly alter the quantum behavior of the system. We realize the extended Bose-Hubbard model for an ultracold gas of strongly magnetic erbium atoms in a three-dimensional optical lattice. Controlling the orientation of the atomic dipoles, we reveal the anisotropic character of the onsite interaction and hopping dynamics and their influence on the superfluid-to-Mott insulator quantum phase transition. Moreover, we observe nearest-neighbor interactions, a genuine consequence of the long-range nature of dipolar interactions. Our results lay the groundwork for future studies of exotic many-body quantum phases.

  11. Extended Bose-Hubbard models with ultracold magnetic atoms

    NASA Astrophysics Data System (ADS)

    Baier, S.; Mark, M. J.; Petter, D.; Aikawa, K.; Chomaz, L.; Cai, Z.; Baranov, M.; Zoller, P.; Ferlaino, F.

    2016-04-01

    The Hubbard model underlies our understanding of strongly correlated materials. Whereas its standard form only comprises interactions between particles at the same lattice site, extending it to encompass long-range interactions is predicted to profoundly alter the quantum behavior of the system. We realize the extended Bose-Hubbard model for an ultracold gas of strongly magnetic erbium atoms in a three-dimensional optical lattice. Controlling the orientation of the atomic dipoles, we reveal the anisotropic character of the onsite interaction and hopping dynamics and their influence on the superfluid-to-Mott insulator quantum phase transition. Moreover, we observe nearest-neighbor interactions, a genuine consequence of the long-range nature of dipolar interactions. Our results lay the groundwork for future studies of exotic many-body quantum phases.

  12. Unconventional fermi surface instabilities in the kagome Hubbard model.

    PubMed

    Kiesel, Maximilian L; Platt, Christian; Thomale, Ronny

    2013-03-22

    We investigate the competing Fermi surface instabilities in the kagome tight-binding model. Specifically, we consider on-site and short-range Hubbard interactions in the vicinity of van Hove filling of the dispersive kagome bands where the fermiology promotes the joint effect of enlarged density of states and nesting. The sublattice interference mechanism devised by Kiesel and Thomale [Phys. Rev. B 86, 121105 (2012)] allows us to explain the intricate interplay between ferromagnetic fluctuations and other ordering tendencies. On the basis of the functional renormalization group used to obtain an adequate low-energy theory description, we discover finite angular momentum spin and charge density wave order, a twofold degenerate d-wave Pomeranchuk instability, and f-wave superconductivity away from van Hove filling. Together, this makes the kagome Hubbard model the prototypical scenario for several unconventional Fermi surface instabilities.

  13. Bose-Hubbard model on a checkerboard superlattice

    NASA Astrophysics Data System (ADS)

    Iskin, Menderes

    2011-05-01

    We study the ground-state phases of the Bose-Hubbard model on a checkerboard superlattice in two dimensions, including the superfluid phase and the Mott and charge-density-wave insulators. First, we discuss the single-particle Hofstadter problem, and show that the presence of a checkerboard superlattice gives rise to a magnetic flux-independent energy gap in the excitation spectrum. Then, we consider the many-particle problem, and derive an analytical mean-field expression for the superfluid-Mott and superfluid-charge-density-wave insulator phase transition boundaries. Finally, since the phase diagram of the Bose-Hubbard model on a checkerboard superlattice is in many ways similar to that of the extended Bose-Hubbard model, we comment on the effects of magnetic field on the latter model, and derive an analytical mean-field expression for the superfluid-insulator phase transition boundaries as well. This work is supported by Marie Curie International Reintegration Grant (FP7-PEOPLE-IRG-2010-268239).

  14. Ground states of the spin-1 Bose-Hubbard model.

    PubMed

    Katsura, Hosho; Tasaki, Hal

    2013-03-29

    We prove basic theorems about the ground states of the S=1 Bose-Hubbard model. The results are quite universal and depend only on the coefficient U2 of the spin-dependent interaction. We show that the ground state exhibits saturated ferromagnetism if U2<0, is spin-singlet if U2>0, and exhibits "SU(3)-ferromagnetism" if U2=0, and completely determine the degeneracy in each region.

  15. Variational tensor network renormalization in imaginary time: Benchmark results in the Hubbard model at finite temperature

    NASA Astrophysics Data System (ADS)

    Czarnik, Piotr; Rams, Marek M.; Dziarmaga, Jacek

    2016-12-01

    A Gibbs operator e-β H for a two-dimensional (2D) lattice system with a Hamiltonian H can be represented by a 3D tensor network, with the third dimension being the imaginary time (inverse temperature) β . Coarse graining the network along β results in a 2D projected entangled-pair operator (PEPO) with a finite bond dimension. The coarse graining is performed by a tree tensor network of isometries. They are optimized variationally to maximize the accuracy of the PEPO as a representation of the 2D thermal state e-β H. The algorithm is applied to the two-dimensional Hubbard model on an infinite square lattice. Benchmark results at finite temperature are obtained that are consistent with the best cluster dynamical mean-field theory and power-series expansion in the regime of parameters where they yield mutually consistent results.

  16. Fidelity study of superconductivity in extended Hubbard models

    DOE PAGES

    Plonka, N.; Jia, C. J.; Wang, Y.; ...

    2015-07-08

    The Hubbard model with local on-site repulsion is generally thought to possess a superconducting ground state for appropriate parameters, but the effects of more realistic long-range Coulomb interactions have not been studied extensively. We study the influence of these interactions on superconductivity by including nearest- and next-nearest-neighbor extended Hubbard interactions in addition to the usual on-site terms. Utilizing numerical exact diagonalization, we analyze the signatures of superconductivity in the ground states through the fidelity metric of quantum information theory. Finally, we find that nearest and next-nearest neighbor interactions have thresholds above which they destabilize superconductivity regardless of whether they aremore » attractive or repulsive, seemingly due to competing charge fluctuations.« less

  17. Fidelity study of superconductivity in extended Hubbard models

    SciTech Connect

    Plonka, N.; Jia, C. J.; Wang, Y.; Moritz, B.; Devereaux, T. P.

    2015-07-08

    The Hubbard model with local on-site repulsion is generally thought to possess a superconducting ground state for appropriate parameters, but the effects of more realistic long-range Coulomb interactions have not been studied extensively. We study the influence of these interactions on superconductivity by including nearest- and next-nearest-neighbor extended Hubbard interactions in addition to the usual on-site terms. Utilizing numerical exact diagonalization, we analyze the signatures of superconductivity in the ground states through the fidelity metric of quantum information theory. Finally, we find that nearest and next-nearest neighbor interactions have thresholds above which they destabilize superconductivity regardless of whether they are attractive or repulsive, seemingly due to competing charge fluctuations.

  18. Brittle damage models in DYNA2D

    SciTech Connect

    Faux, D.R.

    1997-09-01

    DYNA2D is an explicit Lagrangian finite element code used to model dynamic events where stress wave interactions influence the overall response of the system. DYNA2D is often used to model penetration problems involving ductile-to-ductile impacts; however, with the advent of the use of ceramics in the armor-anti-armor community and the need to model damage to laser optics components, good brittle damage models are now needed in DYNA2D. This report will detail the implementation of four brittle damage models in DYNA2D, three scalar damage models and one tensor damage model. These new brittle damage models are then used to predict experimental results from three distinctly different glass damage problems.

  19. Spectral analysis of two-dimensional Bose-Hubbard models

    NASA Astrophysics Data System (ADS)

    Fischer, David; Hoffmann, Darius; Wimberger, Sandro

    2016-04-01

    One-dimensional Bose-Hubbard models are well known to obey a transition from regular to quantum-chaotic spectral statistics. We are extending this concept to relatively simple two-dimensional many-body models. Also in two dimensions a transition from regular to chaotic spectral statistics is found and discussed. In particular, we analyze the dependence of the spectral properties on the bond number of the two-dimensional lattices and the applied boundary conditions. For maximal connectivity, the systems behave most regularly in agreement with the applicability of mean-field approaches in the limit of many nearest-neighbor couplings at each site.

  20. Nonlocal order parameters for the 1D Hubbard model.

    PubMed

    Montorsi, Arianna; Roncaglia, Marco

    2012-12-07

    We characterize the Mott-insulator and Luther-Emery phases of the 1D Hubbard model through correlators that measure the parity of spin and charge strings along the chain. These nonlocal quantities order in the corresponding gapped phases and vanish at the critical point U(c)=0, thus configuring as hidden order parameters. The Mott insulator consists of bound doublon-holon pairs, which in the Luther-Emery phase turn into electron pairs with opposite spins, both unbinding at U(c). The behavior of the parity correlators is captured by an effective free spinless fermion model.

  1. Nonlocal Order Parameters for the 1D Hubbard Model

    NASA Astrophysics Data System (ADS)

    Montorsi, Arianna; Roncaglia, Marco

    2012-12-01

    We characterize the Mott-insulator and Luther-Emery phases of the 1D Hubbard model through correlators that measure the parity of spin and charge strings along the chain. These nonlocal quantities order in the corresponding gapped phases and vanish at the critical point Uc=0, thus configuring as hidden order parameters. The Mott insulator consists of bound doublon-holon pairs, which in the Luther-Emery phase turn into electron pairs with opposite spins, both unbinding at Uc. The behavior of the parity correlators is captured by an effective free spinless fermion model.

  2. Quantum symmetries induced by phonons in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Montorsi, Arianna; Rasetti, Mario

    1994-03-01

    We show how the addition of a phonon field to the Hubbard model deforms the superconducting su(2) part of the global symmetry Lie algebra su(2)⊗su(2)/openZ2, holding at half filling for the customary model, into a quantum [su(2)]q symmetry, holding for a filling which depends on the electron-phonon interaction strength. Such symmetry originates in the feature that in the presence of phonons the hopping amplitude turns out to depend on the coupling strength. The states generated by resorting to this q symmetry exhibit both off-diagonal long-range order and pairing.

  3. Matrix models of 2d gravity

    SciTech Connect

    Ginsparg, P.

    1991-01-01

    These are introductory lectures for a general audience that give an overview of the subject of matrix models and their application to random surfaces, 2d gravity, and string theory. They are intentionally 1.5 years out of date.

  4. Matrix models of 2d gravity

    SciTech Connect

    Ginsparg, P.

    1991-12-31

    These are introductory lectures for a general audience that give an overview of the subject of matrix models and their application to random surfaces, 2d gravity, and string theory. They are intentionally 1.5 years out of date.

  5. Dual-fermion approach to the Anderson-Hubbard model

    NASA Astrophysics Data System (ADS)

    Haase, P.; Yang, S.-X.; Pruschke, T.; Moreno, J.; Jarrell, M.

    2017-01-01

    We apply the recently developed dual-fermion algorithm for disordered interacting systems to the Anderson-Hubbard model. This algorithm is compared with dynamical cluster approximation calculations for a one-dimensional system to establish the quality of the approximation in comparison with an established cluster method. We continue with a three-dimensional (3D) system and look at the antiferromagnetic, Mott, and Anderson localization transitions. The dual-fermion approach leads to quantitative as well as qualitative improvement of the dynamical mean-field results, and it allows one to calculate the hysteresis in the double occupancy in 3D, taking into account nonlocal correlations.

  6. Quantum glass phases in the disordered Bose-Hubbard model.

    PubMed

    Sengupta, Pinaki; Haas, Stephan

    2007-08-03

    The phase diagram of the Bose-Hubbard model in the presence of off-diagonal disorder is determined using quantum Monte Carlo simulations. A sequence of quantum glass phases intervene at the interface between the Mott insulating and the superfluid phases of the clean system. In addition to the standard Bose glass phase, the coexistence of gapless and gapped regions close to the Mott insulating phase leads to a novel Mott glass regime which is incompressible yet gapless. Numerical evidence for the properties of these phases is given in terms of global (compressibility, superfluid stiffness) and local (compressibility, momentum distribution) observables.

  7. Superconductivity in the two-dimensional generalized Hubbard model

    NASA Astrophysics Data System (ADS)

    Lima, L. S.

    2016-08-01

    We have used the Green's functions method at finite temperature and the Kubo's formalism, to calculate the electron conductivity σ(ω) in the generalized two-dimensional Hubbard model. We have obtained a behavior superconductor for the system to T > T0. The AC conductivity falls to zero in ω =ω0 , where ω0 depends on Δ, which is the gap of the system. The behavior gotten is according of with the behavior of the superconductors of high Tc where there is a changes abruptly from a Mott's insulator state to superconductor.

  8. Capturing nonlocal interaction effects in the Hubbard model: Optimal mappings and limits of applicability

    NASA Astrophysics Data System (ADS)

    van Loon, E. G. C. P.; Schüler, M.; Katsnelson, M. I.; Wehling, T. O.

    2016-10-01

    We investigate the Peierls-Feynman-Bogoliubov variational principle to map Hubbard models with nonlocal interactions to effective models with only local interactions. We study the renormalization of the local interaction induced by nearest-neighbor interaction and assess the quality of the effective Hubbard models in reproducing observables of the corresponding extended Hubbard models. We compare the renormalization of the local interactions as obtained from numerically exact determinant quantum Monte Carlo to approximate but more generally applicable calculations using dual boson, dynamical mean field theory, and the random phase approximation. These more approximate approaches are crucial for any application with real materials in mind. Furthermore, we use the dual boson method to calculate observables of the extended Hubbard models directly and benchmark these against determinant quantum Monte Carlo simulations of the effective Hubbard model.

  9. Hubbard Model Approach to X-ray Spectroscopy

    NASA Astrophysics Data System (ADS)

    Ahmed, Towfiq

    We have implemented a Hubbard model based first-principles approach for real-space calculations of x-ray spectroscopy, which allows one to study excited state electronic structure of correlated systems. Theoretical understanding of many electronic features in d and f electron systems remains beyond the scope of conventional density functional theory (DFT). In this work our main effort is to go beyond the local density approximation (LDA) by incorporating the Hubbard model within the real-space multiple-scattering Green's function (RSGF) formalism. Historically, the first theoretical description of correlated systems was published by Sir Neville Mott and others in 1937. They realized that the insulating gap and antiferromagnetism in the transition metal oxides are mainly caused by the strong on-site Coulomb interaction of the localized unfilled 3d orbitals. Even with the recent progress of first principles methods (e.g. DFT) and model Hamiltonian approaches (e.g., Hubbard-Anderson model), the electronic description of many of these systems remains a non-trivial combination of both. X-ray absorption near edge spectra (XANES) and x-ray emission spectra (XES) are very powerful spectroscopic probes for many electronic features near Fermi energy (EF), which are caused by the on-site Coulomb interaction of localized electrons. In this work we focus on three different cases of many-body effects due to the interaction of localized d electrons. Here, for the first time, we have applied the Hubbard model in the real-space multiple scattering (RSGF) formalism for the calculation of x-ray spectra of Mott insulators (e.g., NiO and MnO). Secondly, we have implemented in our RSGF approach a doping dependent self-energy that was constructed from a single-band Hubbard model for the over doped high-T c cuprate La2-xSrxCuO4. Finally our RSGF calculation of XANES is calculated with the spectral function from Lee and Hedin's charge transfer satellite model. For all these cases our

  10. General Hubbard Model for Fermions in an Optical Lattice

    NASA Astrophysics Data System (ADS)

    Kestner, Jason; Duan, Luming

    2009-03-01

    For two-component fermions in an optical lattice, an effective general Hubbard model (GHM) with tunable on-site attraction/repulsion and occupation-dependent hopping rates emerges from very general arguments [1]. This model is quite interesting, containing as special cases both the t-J and the XXZ models. However, the experimental range of applicability and the connection between the model parameters and the actual experimental parameters must be determined explicitly. To this end, we have used a stochastic variational approach with a correlated gaussian wavefunction to numerically find the eigenstates of two atoms interacting in a 3D few-well trap. By matching the few-site spectrum of the GHM to the variational spectrum obtained, the validity of the model and the relationship between experimental and model parameters are determined. [1] L.-M. Duan, Euro. Phys. Lett. 81, 20001 (2008).

  11. Dynamics of holes in the extended Hubbard model

    NASA Astrophysics Data System (ADS)

    Sherman, A. V.

    1992-09-01

    The strong-correlation limit of the extended Hubbard model of plane cuprate perovskites is considered for two ratios of material parameters allowed by the uncertainty of their known values: the Cu-O electron promotion energy is of the order of the Cu-O hybridization at a negligibly small Hubbard repulsion on oxygen sites and the hybridization is much smaller than other energy parameters. By taking into account the antiferromagnetic ordering of lightly doped samples and using the spin-wave approximation, for these two cases effective Hamiltonians are obtained, in which charge and spin degrees of freedom are described by practically independent operators. On the basis of these Hamiltonians it is shown that the low-energy hole dynamics is essentially different in the two cases. In the latter case it can approximately be mapped on the one-band t-J model describing the movement of the Zhang-Rice singlet. However, essential deviations might arise if the oxygen and copper on-site repulsions were comparable. The Hamiltonian in the former case is intrinsically a two-band one which differs from the one-band Hamiltonian in shapes and widths of energy bands and in conditions of the formation of a ferromagnetically ordered region around a hole in the limit of large repulsions.

  12. Generalized slave-particle method for extended Hubbard models

    NASA Astrophysics Data System (ADS)

    Georgescu, Alexandru B.; Ismail-Beigi, Sohrab

    2015-12-01

    We introduce a set of generalized slave-particle models for extended Hubbard models that treat localized electronic correlations using slave-boson decompositions. Our models automatically include two slave-particle methods of recent interest, the slave-rotor and slave-spin methods, as well as a ladder of new intermediate models where one can choose which of the electronic degrees of freedom (e.g., spin or orbital labels) are treated as correlated degrees of freedom by the slave bosons. In addition, our method removes the aberrant behavior of the slave-rotor model, where it systematically overestimates the importance of electronic correlation effects for weak interaction strength, by removing the contribution of unphysical states from the bosonic Hilbert space. The flexibility of our formalism permits one to separate and isolate the effect of correlations on the key degrees of freedom.

  13. Bose-Hubbard models coupled to cavity light fields

    SciTech Connect

    Silver, A. O.; Bhaseen, M. J.; Simons, B. D.; Hohenadler, M.

    2010-02-15

    Recent experiments on strongly coupled cavity quantum electrodynamics present new directions in ''matter-light'' systems. Following on from our previous work [Phys. Rev. Lett. 102, 135301 (2009)] we investigate Bose-Hubbard models coupled to a cavity light field. We discuss the emergence of photoexcitations or 'polaritons' within the Mott phase, and obtain the complete variational phase diagram. Exploiting connections to the super-radiance transition in the Dicke model we discuss the nature of polariton condensation within this novel state. Incorporating the effects of carrier superfluidity, we identify a first-order transition between the super-radiant Mott phase and the single component atomic superfluid. The overall predictions of mean field theory are in excellent agreement with exact diagonalization and we provide details of superfluid fractions, density fluctuations, and finite size effects. We highlight connections to recent work on coupled cavity arrays.

  14. EPR pairing dynamics in Hubbard model with resonant U

    PubMed Central

    Zhang, X. Z.; Song, Z.

    2016-01-01

    We study the dynamics of the collision between two fermions in Hubbard model with on-site interaction strength U. The exact solution shows that the scattering matrix for two-wavepacket collision is separable into two independent parts, operating on spatial and spin degrees of freedom, respectively. The S-matrix for spin configuration is equivalent to that of Heisenberg-type pulsed interaction with the strength depending on U and relative group velocity vr. This can be applied to create distant EPR pair, through a collision process for two fermions with opposite spins in the case of |vr/U| = 1, without the need for temporal control and measurement process. Multiple collision process for many particles is also discussed. PMID:26728282

  15. Coulomb matrix elements in multi-orbital Hubbard models

    NASA Astrophysics Data System (ADS)

    Bünemann, Jörg; Gebhard, Florian

    2017-04-01

    Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a d-shell and an f-shell and all point groups with up to 16 elements (O h , O, T d , T h , D 6h , and D 4h ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.

  16. Nonthermal antiferromagnetic order and nonequilibrium criticality in the Hubbard model.

    PubMed

    Tsuji, Naoto; Eckstein, Martin; Werner, Philipp

    2013-03-29

    We study dynamical phase transitions from antiferromagnetic to paramagnetic states driven by an interaction quench in the fermionic Hubbard model using the nonequilibrium dynamical mean-field theory. We identify two dynamical transition points where the relaxation behavior qualitatively changes: one corresponds to the thermal phase transition at which the order parameter decays critically slowly in a power law ∝t(-1/2), and the other is connected to the existence of nonthermal antiferromagnetic order in systems with effective temperature above the thermal critical temperature. The frequency of the amplitude mode extrapolates to zero as one approaches the nonthermal (quasi)critical point, and thermalization is significantly delayed by the trapping in the nonthermal state. A slow relaxation of the nonthermal order is followed by a faster thermalization process.

  17. Three-band Hubbard model: A Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Dopf, G.; Muramatsu, A.; Hanke, W.

    1990-05-01

    We have studied a two-dimensional multiband Hubbard model describing CuO2 sheets in the high-Tc oxides. The simulations were performed for a grand-canonical ensemble on lattice sizes up to 16 unit cells of three atoms each and temperatures down to kBT~t/30, where t is the Cu-O hybridization. For generally accepted values of the Hubbard coupling on the Cu sites Ud>~6t, two different regimes can be distinguished in the magnetic properties of the model. In the half-filled band case we see for Δ>Ud/2 (Δ=ɛp-ɛd being the charge-transfer energy) the formation of a correlation gap, as expected for a charge-transfer insulator. For Δ~4/t, although no phase transition to a superconducting state could be seen.

  18. Lanczos diagonalizations of the 1-D Peierls-Hubbard model

    SciTech Connect

    Loh, E.Y.; Campbell, D.K.; Gammel, J.T.

    1989-01-01

    In studies of interacting electrons in reduced dimensions'' one is trapped between the Scylla of exponential growth of the number of states in any exact many-body basis and the Charybdis of the failure of mean-field theories to capture adequately the effects of interactions. In the present article we focus on one technique -- the Lanczos method -- which, at least in the case of the 1-D Peierls-Hubbard model, appears to allow us to sail the narrow channel between these two hazards. In contrast to Quantum Monte Carlo methods, which circumvent the exponential growth of states by statistical techniques and importance sampling, the Lanczos approach attacks this problem head-on by diagonalizing the full Hamiltonian. Given the restrictions of present computers, this approach is thus limited to studying finite clusters of roughly 12--14 sites. Fortunately, in one dimension, such clusters are usually sufficient for extracting many of the properties of the infinite system provided that one makes full use of the ability to vary the boundary conditions. In this article we shall apply the Lanczos methodology and novel phase randomization'' techniques to study the 1-D Peierls-Hubbard model, with particular emphasis on the optical absorption properties, including the spectrum of absorptions as a function of photon energy. Despite the discreteness of the eigenstates in our finite clusters, we are able to obtain optical spectra that, in cases where independent tests can be made, agree well with the known exact results for the infinite system. Thus we feel that this combination of techniques represents an important and viable means of studying many interesting novel materials involving strongly correlated electrons. 26 refs., 6 figs.

  19. Conductivite dans le modele de Hubbard bi-dimensionnel a faible couplage

    NASA Astrophysics Data System (ADS)

    Bergeron, Dominic

    Le modele de Hubbard bi-dimensionnel (2D) est souvent considere comme le modele minimal pour les supraconducteurs a haute temperature critique a base d'oxyde de cuivre (SCHT). Sur un reseau carre, ce modele possede les phases qui sont communes a tous les SCHT, la phase antiferromagnetique, la phase supraconductrice et la phase dite du pseudogap. Il n'a pas de solution exacte, toutefois, plusieurs methodes approximatives permettent d'etudier ses proprietes de facon numerique. Les proprietes optiques et de transport sont bien connues dans les SCHT et sont donc de bonne candidates pour valider un modele theorique et aider a comprendre mieux la physique de ces materiaux. La presente these porte sur le calcul de ces proprietes pour le modele de Hubbard 2D a couplage faible ou intermediaire. La methode de calcul utilisee est l'approche auto-coherente a deux particules (ACDP), qui est non-perturbative et inclue l'effet des fluctuations de spin et de charge a toutes les longueurs d'onde. La derivation complete de l'expression de la conductivite dans l'approche ACDP est presentee. Cette expression contient ce qu'on appelle les corrections de vertex, qui tiennent compte des correlations entre quasi-particules. Pour rendre possible le calcul numerique de ces corrections, des algorithmes utilisant, entre autres, des transformees de Fourier rapides et des splines cubiques sont developpes. Les calculs sont faits pour le reseau carre avec sauts aux plus proches voisins autour du point critique antiferromagnetique. Aux dopages plus faibles que le point critique, la conductivite optique presente une bosse dans l'infrarouge moyen a basse temperature, tel qu'observe dans plusieurs SCHT. Dans la resistivite en fonction de la temperature, on trouve un comportement isolant dans le pseudogap lorsque les corrections de vertex sont negligees et metallique lorsqu'elles sont prises en compte. Pres du point critique, la resistivite est lineaire en T a basse temperature et devient

  20. Quantum phase diagrams of the Jaynes–Cummings Hubbard models in non-rectangular lattices

    NASA Astrophysics Data System (ADS)

    Zhang, Jun; Jiang, Ying

    2017-03-01

    In this paper, we investigate systematically the quantum phase transition between the Mott-insulator and superfluid states of the Jaynes–Cummings Hubbard model in triangular, square, honeycomb and kagomé lattices. With the help of Green’s function method, by treating the hopping term in the Jaynes–Cummings Hubbard model as perturbation, we calculate the phase boundaries of Jaynes–Cummings Hubbard models on different geometrical lattices analytically up to second order for both detuning Δ =0 and Δ \

  1. Theory of ferrimagnetism in the Hubbard model on bipartite lattices with spectral symmetry

    NASA Astrophysics Data System (ADS)

    Xue, Yang; He, Jing; Zhang, Xing-Hai; Kou, Su-Peng

    2015-08-01

    The Hubbard model is one of the most important models in condensed matter physics. In this paper, we developed a theory of ferrimagnetism in the Hubbard model on bipartite lattices with spectral symmetry. By taking three models as examples, we studied the ferrimagnetic orders that emerge from three typical fermionic systems—metal, semi-metal and (Chern) insulator. In particular, we found that there may exist various ferrimagnetic orders and explored the universal features.

  2. Theory of ferrimagnetism in the Hubbard model on bipartite lattices with spectral symmetry.

    PubMed

    Xue, Yang; He, Jing; Zhang, Xing-Hai; Kou, Su-Peng

    2015-09-09

    The Hubbard model is one of the most important models in condensed matter physics. In this paper, we developed a theory of ferrimagnetism in the Hubbard model on bipartite lattices with spectral symmetry. By taking three models as examples, we studied the ferrimagnetic orders that emerge from three typical fermionic systems--metal, semi-metal and (Chern) insulator. In particular, we found that there may exist various ferrimagnetic orders and explored the universal features.

  3. Locating the quantum critical point of the Bose-Hubbard model through singularities of simple observables

    PubMed Central

    Łącki, Mateusz; Damski, Bogdan; Zakrzewski, Jakub

    2016-01-01

    We show that the critical point of the two-dimensional Bose-Hubbard model can be easily found through studies of either on-site atom number fluctuations or the nearest-neighbor two-point correlation function (the expectation value of the tunnelling operator). Our strategy to locate the critical point is based on the observation that the derivatives of these observables with respect to the parameter that drives the superfluid-Mott insulator transition are singular at the critical point in the thermodynamic limit. Performing the quantum Monte Carlo simulations of the two-dimensional Bose-Hubbard model, we show that this technique leads to the accurate determination of the position of its critical point. Our results can be easily extended to the three-dimensional Bose-Hubbard model and different Hubbard-like models. They provide a simple experimentally-relevant way of locating critical points in various cold atomic lattice systems. PMID:27910915

  4. Locating the quantum critical point of the Bose-Hubbard model through singularities of simple observables

    NASA Astrophysics Data System (ADS)

    Łącki, Mateusz; Damski, Bogdan; Zakrzewski, Jakub

    2016-12-01

    We show that the critical point of the two-dimensional Bose-Hubbard model can be easily found through studies of either on-site atom number fluctuations or the nearest-neighbor two-point correlation function (the expectation value of the tunnelling operator). Our strategy to locate the critical point is based on the observation that the derivatives of these observables with respect to the parameter that drives the superfluid-Mott insulator transition are singular at the critical point in the thermodynamic limit. Performing the quantum Monte Carlo simulations of the two-dimensional Bose-Hubbard model, we show that this technique leads to the accurate determination of the position of its critical point. Our results can be easily extended to the three-dimensional Bose-Hubbard model and different Hubbard-like models. They provide a simple experimentally-relevant way of locating critical points in various cold atomic lattice systems.

  5. Locating the quantum critical point of the Bose-Hubbard model through singularities of simple observables.

    PubMed

    Łącki, Mateusz; Damski, Bogdan; Zakrzewski, Jakub

    2016-12-02

    We show that the critical point of the two-dimensional Bose-Hubbard model can be easily found through studies of either on-site atom number fluctuations or the nearest-neighbor two-point correlation function (the expectation value of the tunnelling operator). Our strategy to locate the critical point is based on the observation that the derivatives of these observables with respect to the parameter that drives the superfluid-Mott insulator transition are singular at the critical point in the thermodynamic limit. Performing the quantum Monte Carlo simulations of the two-dimensional Bose-Hubbard model, we show that this technique leads to the accurate determination of the position of its critical point. Our results can be easily extended to the three-dimensional Bose-Hubbard model and different Hubbard-like models. They provide a simple experimentally-relevant way of locating critical points in various cold atomic lattice systems.

  6. Phase diagram of the half-filled ionic Hubbard model

    NASA Astrophysics Data System (ADS)

    Bag, Soumen; Garg, Arti; Krishnamurthy, H. R.

    2015-06-01

    We study the phase diagram of the ionic Hubbard model (IHM) at half filling on a Bethe lattice of infinite connectivity using dynamical mean-field theory (DMFT), with two impurity solvers, namely, iterated perturbation theory (IPT) and continuous time quantum Monte Carlo (CTQMC). The physics of the IHM is governed by the competition between the staggered ionic potential Δ and the on-site Hubbard U . We find that for a finite Δ and at zero temperature, long-range antiferromagnetic (AFM) order sets in beyond a threshold U =UA F via a first-order phase transition. For U smaller than UA F the system is a correlated band insulator. Both methods show a clear evidence for a quantum transition to a half-metal (HM) phase just after the AFM order is turned on, followed by the formation of an AFM insulator on further increasing U . We show that the results obtained within both methods have good qualitative and quantitative consistency in the intermediate-to-strong-coupling regime at zero temperature as well as at finite temperature. On increasing the temperature, the AFM order is lost via a first-order phase transition at a transition temperature TA F(U ,Δ ) [or, equivalently, on decreasing U below UA F(T ,Δ ) ], within both methods, for weak to intermediate values of U /t . In the strongly correlated regime, where the effective low-energy Hamiltonian is the Heisenberg model, IPT is unable to capture the thermal (Neel) transition from the AFM phase to the paramagnetic phase, but the CTQMC does. At a finite temperature T , DMFT +CTQMC shows a second phase transition (not seen within DMFT +IPT ) on increasing U beyond UA F. At UN>UA F , when the Neel temperature TN for the effective Heisenberg model becomes lower than T , the AFM order is lost via a second-order transition. For U ≫Δ , TN˜t2/U (1 -x2) , where x =2 Δ /U and thus TN increases with increase in Δ /U . In the three-dimensional parameter space of (U /t ,T /t ,andΔ /t ) , as T increases, the surface of first

  7. Superconductivity from doublon condensation in the ionic Hubbard model

    NASA Astrophysics Data System (ADS)

    Samanta, Abhisek; Sensarma, Rajdeep

    2016-12-01

    In the ionic Hubbard model, the on-site repulsion U , which drives a Mott insulator, and the ionic potential V , which drives a band insulator, compete with each other to open up a window of charge fluctuations when U ˜V . We study this model on square and cubic lattices in the limit of large U and V , with V ˜U . Using an effective Hamiltonian and a slave-boson approach with both doublons and holons, we find that the system undergoes a phase transition as a function of V from an antiferromagnetic Mott insulator to a paramagnetic insulator with strong singlet correlations, which is driven by a condensate of "neutral" doublon-holon pairs. On further increasing V , the system undergoes another phase transition to a superconducting phase driven by condensate of "charged" doublons and holons. The superfluid phase, characterized by the presence of a coherent (but gapped) fermionic quasiparticle and h c /e flux quantization, has a high Tc˜t , which shows a dome-shaped behavior as a function of V . The paramagnetic insulator phase has a deconfined U(1) gauge field and associated gapless photon excitations. We also discuss how these phases can be detected in the ultracold-atom context.

  8. Diffusion dynamics in the disordered Bose Hubbard model

    NASA Astrophysics Data System (ADS)

    Wadleigh, Laura; Russ, Philip; Demarco, Brian

    2016-05-01

    We explore the dynamics of diffusion for out-of-equilibrium superfluid, Mott insulator, and Bose glass states using an atomic realization of the disordered Bose Hubbard (DBH) model. Dynamics in strongly correlated systems, especially far from equilibrium, are not well understood. The introduction of disorder further complicates these systems. We realize the DBH model--which has been central to our understanding of quantum phase transitions in disordered systems--using ultracold Rubidium-87 atoms trapped in a cubic disordered optical lattice. By tightly focusing a beam into the center of the gas, we create a hole in the atomic density profile. We achieve Mott insulator, superfluid, or Bose glass states by varying the interaction and disorder strength, and measure the time evolution of the density profile after removing the central barrier. This allows us to infer diffusion rates from the velocities at the edge of the hole and to look for signatures of superfluid puddles in the Bose glass state. We acknowledge funding from NSF Grant PHY 15-05468, NSF Grant DGE-1144245, and ARO Grant W911NF-12-1-0462.

  9. From the Jaynes-Cummings-Hubbard to the Dicke model

    NASA Astrophysics Data System (ADS)

    Schmidt, S.; Blatter, G.; Keeling, J.

    2013-11-01

    We discuss the Jaynes-Cummings-Hubbard model describing the superfluid-Mott insulator transition of polaritons (i.e., dressed photon-qubit states) in coupled qubit-cavity arrays in the crossover from strong to weak correlations. In the strongly correlated regime the phase diagram and the elementary excitations of lattice polaritons near the Mott lobes are calculated analytically using a slave-boson theory (SBT). The opposite regime of weakly interacting polariton superfluids is described by a weak-coupling mean-field theory for a generalized multi-mode Dicke model. We show that a remarkable relation between the two theories exists in the limit of large photon bandwidth and large negative detuning, i.e., when the nature of polariton quasiparticles becomes qubit-like. In this regime, the weak-coupling theory predicts the existence of a single Mott lobe with a change of the universality class of the phase transition at the tip of the lobe, in perfect agreement with the SBT. Moreover, the spectra of low energy excitations, i.e., the sound velocity of the Goldstone mode and the gap of the amplitude mode match exactly as calculated from both theories.

  10. Ground-state phase diagram of the two-dimensional Bose-Hubbard model with anisotropic hopping

    NASA Astrophysics Data System (ADS)

    Schönmeier-Kromer, Janik; Pollet, Lode

    2014-02-01

    We compute the ground-state phase diagram of the two-dimensional (2D) Bose-Hubbard model with anisotropic hopping using quantum Monte Carlo simulations, connecting the one-dimensional (1D) to the 2D system. We find that the tip of the lobe lies on a curve controlled by the 1D limit over the full anisotropy range, while the universality class is always the same as in the isotropic 2D system. This behavior can be derived analytically from the lowest renormalization-group equations and has a shape typical for the underlying Kosterlitz-Thouless transition in one dimension. We also compute the phase boundary of the Mott lobe at unit density for strong anisotropy and compare it to the 1D system. Our calculations shed light on recent cold gas experiments monitoring the dynamics of an expanding cloud.

  11. Semiclassical analysis of the Bogoliubov spectrum in the Bose-Hubbard model.

    PubMed

    Kolovsky, Andrey R

    2007-08-01

    We analyze the Bogoliubov spectrum of the Bose-Hubbard model with a finite number of sites and Bose particles by using a semiclassical approach. This approach allows us to take into account the finite-size effects responsible for evolution of the Bogoliubov spectrum into an irregular (chaotic) spectrum at higher energies. A manifestation of this transition for the excitation dynamics of the Bose-Hubbard system is discussed as well.

  12. Semiclassical analysis of the Bogoliubov spectrum in the Bose-Hubbard model

    SciTech Connect

    Kolovsky, Andrey R.

    2007-08-15

    We analyze the Bogoliubov spectrum of the Bose-Hubbard model with a finite number of sites and Bose particles by using a semiclassical approach. This approach allows us to take into account the finite-size effects responsible for evolution of the Bogoliubov spectrum into an irregular (chaotic) spectrum at higher energies. A manifestation of this transition for the excitation dynamics of the Bose-Hubbard system is discussed as well.

  13. Negative isotope effect in Hubbard-Holstein model

    NASA Astrophysics Data System (ADS)

    Wang, Da

    In phonon mediated conventional s-wave superconductors, higher-frequency phonon (or smaller atomic mass) leads to a higher superconducting transition temperature, known as the isotope effect. However, in correlated systems, various competing electronic order (such as spin-density-wave, charge-density-wave, and unconventional superconductivity) arises and the effect of electron-phonon coupling on these orders is a long-standing problem. Using the functional renormalization group, here we investigated the interplay between the electron correlation and electron-phonon coupling in the Hubbard-Holstein model on a square lattice. At half-filling, we found spin-density-wave and charge-density-wave phases and the transition between them, while no superconducting phase arises. Upon finite doping, d-wave/s-wave superconductivity emerges in proximity to the spin-density-wave/charge-density-wave phase. Surprisingly, lower-frequency Holstein phonons are either less destructive or even beneficial to the various phases, resulting in a negative isotope effect. For the superconducting phases, such an effect is apparently beyond the Bardeen-Cooper-Schrieffer theory.

  14. Dispersive excitations in one-dimensional ionic Hubbard model

    NASA Astrophysics Data System (ADS)

    Hafez Torbati, M.; Drescher, Nils A.; Uhrig, Götz S.

    2014-06-01

    A detailed study of the one-dimensional ionic Hubbard model with interaction U is presented. We focus on the band insulating (BI) phase and the spontaneously dimerized insulating (SDI) phase which appears on increasing U. By a recently introduced continuous unitary transformation [H. Krull et al., Phys. Rev. B 86, 125113 (2012), 10.1103/PhysRevB.86.125113] we are able to describe the system even close to the phase transition from BI to SDI although the bare perturbative series diverges before the transition is reached. First, the dispersion of single fermionic quasiparticles is determined in the full Brillouin zone. Second, we describe the binding phenomena between two fermionic quasiparticles leading to an S =0 and to an S =1 exciton. The latter corresponds to the lowest spin excitation and defines the spin gap which remains finite through the transition from BI to SDI. The former becomes soft at the transition, indicating that the SDI corresponds to a condensate of these S =0 excitons. This view is confirmed by a BCS mean-field theory for the SDI phase.

  15. Attractive Hubbard model with disorder and the generalized Anderson theorem

    SciTech Connect

    Kuchinskii, E. Z. Kuleeva, N. A. Sadovskii, M. V.

    2015-06-15

    Using the generalized DMFT+Σ approach, we study the influence of disorder on single-particle properties of the normal phase and the superconducting transition temperature in the attractive Hubbard model. A wide range of attractive potentials U is studied, from the weak coupling region, where both the instability of the normal phase and superconductivity are well described by the BCS model, to the strong-coupling region, where the superconducting transition is due to Bose-Einstein condensation (BEC) of compact Cooper pairs, formed at temperatures much higher than the superconducting transition temperature. We study two typical models of the conduction band with semi-elliptic and flat densities of states, respectively appropriate for three-dimensional and two-dimensional systems. For the semi-elliptic density of states, the disorder influence on all single-particle properties (e.g., density of states) is universal for an arbitrary strength of electronic correlations and disorder and is due to only the general disorder widening of the conduction band. In the case of a flat density of states, universality is absent in the general case, but still the disorder influence is mainly due to band widening, and the universal behavior is restored for large enough disorder. Using the combination of DMFT+Σ and Nozieres-Schmitt-Rink approximations, we study the disorder influence on the superconducting transition temperature T{sub c} for a range of characteristic values of U and disorder, including the BCS-BEC crossover region and the limit of strong-coupling. Disorder can either suppress T{sub c} (in the weak-coupling region) or significantly increase T{sub c} (in the strong-coupling region). However, in all cases, the generalized Anderson theorem is valid and all changes of the superconducting critical temperature are essentially due to only the general disorder widening of the conduction band.

  16. Quantum simulation of the Hubbard model with dopant atoms in silicon

    PubMed Central

    Salfi, J.; Mol, J. A.; Rahman, R.; Klimeck, G.; Simmons, M. Y.; Hollenberg, L. C. L.; Rogge, S.

    2016-01-01

    In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose–Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard phenomena such as unconventional superconductivity and spin liquids are more difficult to simulate using cold atoms. To date the required single-site measurements and cooling remain problematic, while only ensemble measurements have been achieved. Here we simulate a two-site Hubbard Hamiltonian at low effective temperatures with single-site resolution using subsurface dopants in silicon. We measure quasi-particle tunnelling maps of spin-resolved states with atomic resolution, finding interference processes from which the entanglement entropy and Hubbard interactions are quantified. Entanglement, determined by spin and orbital degrees of freedom, increases with increasing valence bond length. We find separation-tunable Hubbard interaction strengths that are suitable for simulating strongly correlated phenomena in larger arrays of dopants, establishing dopants as a platform for quantum simulation of the Hubbard model. PMID:27094205

  17. Quantum simulation of the Hubbard model with dopant atoms in silicon.

    PubMed

    Salfi, J; Mol, J A; Rahman, R; Klimeck, G; Simmons, M Y; Hollenberg, L C L; Rogge, S

    2016-04-20

    In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose-Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard phenomena such as unconventional superconductivity and spin liquids are more difficult to simulate using cold atoms. To date the required single-site measurements and cooling remain problematic, while only ensemble measurements have been achieved. Here we simulate a two-site Hubbard Hamiltonian at low effective temperatures with single-site resolution using subsurface dopants in silicon. We measure quasi-particle tunnelling maps of spin-resolved states with atomic resolution, finding interference processes from which the entanglement entropy and Hubbard interactions are quantified. Entanglement, determined by spin and orbital degrees of freedom, increases with increasing valence bond length. We find separation-tunable Hubbard interaction strengths that are suitable for simulating strongly correlated phenomena in larger arrays of dopants, establishing dopants as a platform for quantum simulation of the Hubbard model.

  18. Staggered Flux State in Two-Dimensional Hubbard Models

    NASA Astrophysics Data System (ADS)

    Yokoyama, Hisatoshi; Tamura, Shun; Ogata, Masao

    2016-12-01

    The stability and other properties of a staggered flux (SF) state or a correlated d-density wave state are studied for the Hubbard (t-t'-U) model on extended square lattices, as a low-lying state that competes with the dx2 - y2-wave superconductivity (d-SC) and possibly causes the pseudogap phenomena in underdoped high-Tc cuprates and organic κ-BEDT-TTF salts. In calculations, a variational Monte Carlo method is used. In the trial wave function, a configuration-dependent phase factor, which is vital to treat a current-carrying state for a large U/t, is introduced in addition to ordinary correlation factors. Varying U/t, t'/t, and the doping rate (δ) systematically, we show that the SF state becomes more stable than the normal state (projected Fermi sea) for a strongly correlated (U/t ≳ 5) and underdoped (δ ≲ 0.16) area. The decrease in energy is sizable, particularly in the area where Mott physics prevails and the circular current (order parameter) is strongly suppressed. These features are consistent with those for the t-J model. The effect of the frustration t'/t plays a crucial role in preserving charge homogeneity and appropriately describing the behavior of hole- and electron-doped cuprates and κ-BEDT-TTF salts. We argue that the SF state does not coexist with d-SC and is not a "normal state" from which d-SC arises. We also show that a spin current (flux or nematic) state is never stabilized in the same regime.

  19. Emergent lattices with geometrical frustration in doped extended Hubbard models

    NASA Astrophysics Data System (ADS)

    Kaneko, Ryui; Tocchio, Luca F.; Valentí, Roser; Gros, Claudius

    2016-11-01

    Spontaneous charge ordering occurring in correlated systems may be considered as a possible route to generate effective lattice structures with unconventional couplings. For this purpose we investigate the phase diagram of doped extended Hubbard models on two lattices: (i) the honeycomb lattice with on-site U and nearest-neighbor V Coulomb interactions at 3 /4 filling (n =3 /2 ) and (ii) the triangular lattice with on-site U , nearest-neighbor V , and next-nearest-neighbor V' Coulomb interactions at 3 /8 filling (n =3 /4 ). We consider various approaches including mean-field approximations, perturbation theory, and variational Monte Carlo. For the honeycomb case (i), charge order induces an effective triangular lattice at large values of U /t and V /t , where t is the nearest-neighbor hopping integral. The nearest-neighbor spin exchange interactions on this effective triangular lattice are antiferromagnetic in most of the phase diagram, while they become ferromagnetic when U is much larger than V . At U /t ˜(V/t ) 3 , ferromagnetic and antiferromagnetic exchange interactions nearly cancel out, leading to a system with four-spin ring-exchange interactions. On the other hand, for the triangular case (ii) at large U and finite V', we find no charge order for small V , an effective kagome lattice for intermediate V , and one-dimensional charge order for large V . These results indicate that Coulomb interactions induce [case (i)] or enhance [case(ii)] emergent geometrical frustration of the spin degrees of freedom in the system, by forming charge order.

  20. Some Properties of the Positive-U and Negative-U Hubbard Model

    NASA Astrophysics Data System (ADS)

    Mancini, F.; Marinaro, M.; Matsumoto, H.

    In this article we review the properties of the 2D Hubbard model by considering at the same time the cases of repulsive and attractive interaction. The paramagnetic solution is studied by means of the composite operator method in the static approximation for the case of half-filling. Some properties of the two models, as the double occupancy and the spin magnetic susceptibility, are calculated for various values of interaction and temperature and compared. In particular, the different role played by thermal fluctuations is analyzed. Analytical and numerical calculations show that there is a critical value of the interaction, Uc, where the system exhibits a metal-insulator transition. At zero temperature it is found that Uc=-W for the negative-U model and Uc≈1.68W for the positive-U model, where W is the band width. At zero temperature, when the strength of the attractive interaction equals the band width, the system exhibits a phase transition to a pair state, where all the electrons are locally paired. The temperature Tp which controls the crossover to the pair state is calculated as a function of U. For strong attractive interaction χ0 is strongly depressed; increases by increasing T and tends to zero as T→TP.

  1. Mechanism of hole attraction in the extended Hubbard model

    NASA Astrophysics Data System (ADS)

    Sherman, A. V.

    1993-05-01

    The expansion in the Cu-O hybridization energy, t, usually used for the simplification of the extended Hubbard Hamiltonian, is shown to meet with difficulties for the known parameters of CuO2 planes of cuprate perovskites. An expansion in a power series in λt, λ~=0.1, is suggested, which is applicable for these values of parameters and in which the Hubbard repulsion and the Cu-O hybridization are considered on an equal footing. A Hamiltonian obtained with the help of the expansion for the lower part of the energy spectrum, is equivalent to the t-J Hamiltonian and the corresponding states are some generalizations of the Zhang-Rice singlets. The Hamiltonian contains terms describing a static attraction between holes and for reasonable sets of parameters the attraction is approximately equal to a half of the superexchange constant.

  2. Universal stochastic series expansion algorithm for Heisenberg model and Bose-Hubbard model with interaction.

    PubMed

    Zyubin, M V; Kashurnikov, V A

    2004-03-01

    We propose a universal stochastic series expansion (SSE) method for the simulation of the Heisenberg model with arbitrary spin and the Bose-Hubbard model with interaction. We report the calculations involving soft-core bosons with interaction by the SSE method. Moreover, we develop a simple procedure for increased efficiency of the algorithm. From calculation of integrated autocorrelation times we conclude that the method is efficient for both models and essentially eliminates the critical slowing down problem.

  3. Quantum spin liquid in a π flux triangular lattice Hubbard model

    NASA Astrophysics Data System (ADS)

    Rachel, Stephan; Laubach, Manuel; Reuther, Johannes; Thomale, Ronny

    2015-03-01

    We propose the π flux triangular lattice Hubbard model (π-THM) as a prototypical setup to stabilize magnetically disordered quantum states of matter in the presence of charge fluctuations. The quantum paramagnetic domain of the π-THM which we identify for intermediate Hubbard U is framed by a Dirac semi-metal for weak coupling and by 120° Neel order for strong coupling. Generalizing the Klein duality from spin Hamiltonians to tight-binding models, the π-THM maps to a Hubbard model which corresponds to the (JH ,JK) = (- 1 , 2) Heisenberg-Kitaev model in its strong coupling limit. The π-THM provides a promising microscopic testing ground for exotic finite- U spin liquid ground states amenable to numerical investigation.

  4. Multiband effects and the Bose-Hubbard model in one-dimensional lattices

    NASA Astrophysics Data System (ADS)

    Xu, Wei; Olshanii, Maxim; Rigol, Marcos

    2016-09-01

    We study phase diagrams of one-dimensional bosons with contact interactions in the presence of a lattice. We use the worm algorithm in continuous space and focus on the incommensurate superfluid-Mott-insulator transition. Our results are compared to those from the one-band Bose-Hubbard model. When Wannier states are used to determine the Bose-Hubbard model parameters, the comparison unveils an apparent breakdown of the one-band description for strong interactions, even for the Mott-insulating state with an average of one particle per site (n =1 ) in deep lattices. We introduce an inverse confined scattering analysis to obtain the ratio U /J , with which the Bose-Hubbard model provides correct results for strong interactions, deep lattices, and n =1 .

  5. Interaction effect in the Kondo energy of the periodic Anderson-Hubbard model

    NASA Astrophysics Data System (ADS)

    Itai, K.; Fazekas, P.

    1996-07-01

    We extend the periodic Anderson model by switching on a Hubbard U for the conduction band. The nearly integral valent limit of the Anderson-Hubbard model is studied with the Gutzwiller variational method. The lattice Kondo energy shows U dependence both in the prefactor and the exponent. Switching on U reduces the Kondo scale, which can be understood to result from the blocking of hybridization. At half filling, we find a Brinkman-Rice-type transition from a Kondo insulator to a Mott insulator. Our findings should be relevant for a number of correlated two-band models of recent interest.

  6. Mott transition in the dynamic Hubbard model within slave boson mean-field approach

    NASA Astrophysics Data System (ADS)

    Le, Duc-Anh

    2014-04-01

    At zero temperature, the Kotliar-Ruckenstein slave boson mean-field approach is applied to the dynamic Hubbard model. In this paper, the influences of the dynamics of the auxiliary boson field on the Mott transition are investigated. At finite boson frequency, the Mott-type features of the Hubbard model is found to be enhanced by increasing the pseudospin coupling parameter g. For sufficiently large pseudospin coupling g, the Mott transition occurs even for modest values of the bare Hubbard interaction U. The lack of electron-hole symmetry is highlighted through the quasiparticle weight. Our results are in good agreement with the ones obtained by two-site dynamical mean-field theory and determinant quantum Monte Carlo simulation.

  7. Communication: Generalization of Koopmans’ theorem to optical transitions in the Hubbard model of graphene nanodots

    SciTech Connect

    Sheng, Weidong; Luo, Kaikai; Zhou, Aiping

    2015-01-14

    Koopmans’ theorem implies that the Hartree-Fock quasiparticle gap in a closed-shell system is equal to its single-particle energy gap. In this work, the theorem is generalized to optical transitions in the Hubbard model of graphene nanodots. Based on systematic configuration interaction calculations, it is proposed that the optical gap of a closed-shell graphene system within the Hubbard model is equal to its tight-binding single-particle energy gap in the absence of electron correlation. In these systems, the quasiparticle energy gap and exciton binding energy are found to be dominated by the long-range Coulomb interaction, and thus, both become small when only on-site Hubbard interactions are present. Moreover, the contributions of the quasiparticle and excitonic effects to the optical gap are revealed to nearly cancel each other, which results in an unexpected overlap of the optical and single-particle gaps of the graphene systems.

  8. One-electron singular spectral features of the 1D Hubbard model at finite magnetic field

    NASA Astrophysics Data System (ADS)

    Carmelo, J. M. P.; Čadež, T.

    2017-01-01

    The momentum, electronic density, spin density, and interaction dependences of the exponents that control the (k , ω)-plane singular features of the σ = ↑ , ↓ one-electron spectral functions of the 1D Hubbard model at finite magnetic field are studied. The usual half-filling concepts of one-electron lower Hubbard band and upper Hubbard band are defined in terms of the rotated electrons associated with the model Bethe-ansatz solution for all electronic density and spin density values and the whole finite repulsion range. Such rotated electrons are the link of the non-perturbative relation between the electrons and the pseudofermions. Our results further clarify the microscopic processes through which the pseudofermion dynamical theory accounts for the one-electron matrix elements between the ground state and excited energy eigenstates.

  9. Quench dynamics and nonequilibrium phase diagram of the bose-hubbard model.

    PubMed

    Kollath, Corinna; Läuchli, Andreas M; Altman, Ehud

    2007-05-04

    We investigate the time evolution of correlations in the Bose-Hubbard model following a quench from the superfluid to the Mott insulator. For large values of the final interaction strength the system approaches a distinctly nonequilibrium steady state that bears strong memory of the initial conditions. In contrast, when the final interaction strength is comparable to the hopping, the correlations are rather well approximated by those at thermal equilibrium. The existence of two distinct nonequilibrium regimes is surprising given the nonintegrability of the Bose-Hubbard model. We relate this phenomenon to the role of quasiparticle interactions in the Mott insulator.

  10. Classical mapping for Hubbard operators: Application to the double-Anderson model

    SciTech Connect

    Li, Bin; Miller, William H.; Levy, Tal J.; Rabani, Eran

    2014-05-28

    A classical Cartesian mapping for Hubbard operators is developed to describe the nonequilibrium transport of an open quantum system with many electrons. The mapping of the Hubbard operators representing the many-body Hamiltonian is derived by using analogies from classical mappings of boson creation and annihilation operators vis-à-vis a coherent state representation. The approach provides qualitative results for a double quantum dot array (double Anderson impurity model) coupled to fermionic leads for a range of bias voltages, Coulomb couplings, and hopping terms. While the width and height of the conduction peaks show deviations from the master equation approach considered to be accurate in the limit of weak system-leads couplings and high temperatures, the Hubbard mapping captures all transport channels involving transition between many electron states, some of which are not captured by approximate nonequilibrium Green function closures.

  11. Renormalized parameters and perturbation theory in dynamical mean-field theory for the Hubbard model

    NASA Astrophysics Data System (ADS)

    Hewson, A. C.

    2016-11-01

    We calculate the renormalized parameters for the quasiparticles and their interactions for the Hubbard model in the paramagnetic phase as deduced from the low-energy Fermi-liquid fixed point using the results of a numerical renormalization-group calculation (NRG) and dynamical mean-field theory (DMFT). Even in the low-density limit there is significant renormalization of the local quasiparticle interaction U ˜, in agreement with estimates based on the two-particle scattering theory of J. Kanamori [Prog. Theor. Phys. 30, 275 (1963), 10.1143/PTP.30.275]. On the approach to the Mott transition we find a finite ratio for U ˜/D ˜ , where 2 D ˜ is the renormalized bandwidth, which is independent of whether the transition is approached by increasing the on-site interaction U or on increasing the density to half filling. The leading ω2 term in the self-energy and the local dynamical spin and charge susceptibilities are calculated within the renormalized perturbation theory (RPT) and compared with the results calculated directly from the NRG-DMFT. We also suggest, more generally from the DMFT, how an approximate expression for the q ,ω spin susceptibility χ (q ,ω ) can be derived from repeated quasiparticle scattering with a local renormalized scattering vertex.

  12. Superfluid to Mott-insulator transition in Bose-Hubbard models.

    PubMed

    Capello, Manuela; Becca, Federico; Fabrizio, Michele; Sorella, Sandro

    2007-08-03

    We study the superfluid-insulator transition in Bose-Hubbard models in one-, two-, and three-dimensional cubic lattices by means of a recently proposed variational wave function. In one dimension, the variational results agree with the expected Berezinskii-Kosterlitz-Thouless scenario of the interaction-driven Mott transition. In two and three dimensions, we find evidence that, across the transition, most of the spectral weight is concentrated at high energies, suggestive of preformed Mott-Hubbard sidebands. This result is compatible with the experimental data by Stoferle et al. [Phys. Rev. Lett. 92, 130403 (2004)].

  13. Spectral properties near the Mott transition in the one-dimensional Hubbard model.

    PubMed

    Kohno, Masanori

    2010-09-03

    The single-particle spectral properties near the Mott transition in the one-dimensional Hubbard model are investigated by using the dynamical density-matrix renormalization group method and the Bethe ansatz. The pseudogap, hole-pocket behavior, spectral-weight transfer, and upper Hubbard band are explained in terms of spinons, holons, antiholons, and doublons. The Mott transition is characterized by the emergence of a gapless mode whose dispersion relation extends up to the order of hopping t (spin exchange J) in the weak (strong) interaction regime caused by infinitesimal doping.

  14. The Holstein-Hubbard model with Gaussian anharmonicity in one-dimension at half filling

    NASA Astrophysics Data System (ADS)

    Lavanya, Ch. Uma; Chatterjee, Ashok

    2016-05-01

    The Holstein-Hubbard model(HHM) with Gaussian anharmonicityis studied at half filling in one-dimension using a variational method based on a series of canonical transformations. It is shown that the anharmonicityincreases the width of the intermediate metallic phase at the SDW-CDW crossover region.

  15. The role of local repulsion in superconductivity in the Hubbard-Holstein model

    NASA Astrophysics Data System (ADS)

    Lin, Chungwei; Wang, Bingnan; Teo, Koon Hoo

    2017-01-01

    We examine the superconducting solution in the Hubbard-Holstein model using Dynamical Mean Field Theory. The Holstein term introduces the site-independent Boson fields coupling to local electron density, and has two competing influences on superconductivity: The Boson field mediates the effective electron-electron attraction, which is essential for the S-wave electron pairing; the same coupling to the Boson fields also induces the polaron effect, which makes the system less metallic and thus suppresses superconductivity. The Hubbard term introduces an energy penalty U when two electrons occupy the same site, which is expected to suppress superconductivity. By solving the Hubbard-Holstein model using Dynamical Mean Field theory, we find that the Hubbard U can be beneficial to superconductivity under some circumstances. In particular, we demonstrate that when the Boson energy Ω is small, a weak local repulsion actually stabilizesthe S-wave superconducting state. This behavior can be understood as an interplay between superconductivity, the polaron effect, and the on-site repulsion: As the polaron effect is strong and suppresses superconductivity in the small Ω regime, the weak on-site repulsion reduces the polaron effect and effectively enhances superconductivity. Our calculation elucidates the role of local repulsion in the conventional S-wave superconductors.

  16. Exact Solution of Ising Model in 2d Shortcut Network

    NASA Astrophysics Data System (ADS)

    Shanker, O.

    We give the exact solution to the Ising model in the shortcut network in the 2D limit. The solution is found by mapping the model to the square lattice model with Brascamp and Kunz boundary conditions.

  17. Emulating the 1-Dimensional Fermi-Hubbard Model with Superconducting Qubits

    NASA Astrophysics Data System (ADS)

    Reiner, Jan-Michael; Marthaler, Michael; Schön, Gerd

    A chain of qubits with both ZZ and XX couplings is described by a Hamiltonian which coincides with the Fermi-Hubbard model in one dimension. The qubit system can thus be used to study the quantum properties of this model. We investigate the specific implementation of such an analog quantum simulator by a chain of tunable Transmon qubits, where the ZZ interaction arises due to an inductive coupling and the XX interaction due to a capacitive coupling.

  18. Topological Hubbard model and its high-temperature quantum Hall effect.

    PubMed

    Neupert, Titus; Santos, Luiz; Ryu, Shinsei; Chamon, Claudio; Mudry, Christopher

    2012-01-27

    The quintessential two-dimensional lattice model that describes the competition between the kinetic energy of electrons and their short-range repulsive interactions is the repulsive Hubbard model. We study a time-reversal symmetric variant of the repulsive Hubbard model defined on a planar lattice: Whereas the interaction is unchanged, any fully occupied band supports a quantized spin Hall effect. We show that at 1/2 filling of this band, the ground state develops spontaneously and simultaneously Ising ferromagnetic long-range order and a quantized charge Hall effect when the interaction is sufficiently strong. We ponder on the possible practical applications, beyond metrology, that the quantized charge Hall effect might have if it could be realized at high temperatures and without external magnetic fields in strongly correlated materials.

  19. Measurement of the Equation of State of the Two-Dimensional Hubbard Model

    NASA Astrophysics Data System (ADS)

    Miller, Luke; Cocchi, Eugenio; Drewes, Jan; Koschorreck, Marco; Pertot, Daniel; Brennecke, Ferdinand; Koehl, Michael

    2016-05-01

    The subtle interplay between kinetic energy, interactions and dimensionality challenges our comprehension of strongly-correlated physics observed, for example, in the solid state. In this quest, the Hubbard model has emerged as a conceptually simple, yet rich model describing such physics. Here we present an experimental determination of the equation of state of the repulsive two-dimensional Hubbard model over a broad range of interactions, 0 <= U / t <= 20 , and temperatures, down to kB T / t = 0 . 63(2) using high-resolution imaging of ultracold fermionic atoms in optical lattices. We show density profiles, compressibilities and double occupancies over the whole doping range, and hence our results constitute benchmarks for state-of-the-art theoretical approaches.

  20. Extended Bose-Hubbard model with pair hopping induced by a quadratically coupled optomechanical system

    NASA Astrophysics Data System (ADS)

    Huang, Yue-Xin; Zhou, Xiang-Fa; Guo, Guang-Can; Zhang, Yong-Sheng

    2016-10-01

    We present a scheme to realize the (extended) Bose-Hubbard model in an N -coupled optomechanical system. By treating the cavities as intermediary and eliminating them adiabatically with the condition of large detuning or fast decay, we can obtain the effective Hamiltonian for the N oscillators, with the regular terms in the Bose-Hubbard model, i.e., the pair tunnelings and the density-density interactions. Then we verify and provide the condition for our approximation with numerical results. Due to the existence of the pair tunnelings and the density-density interactions, we can investigate the density wave and supersolid phases in our model. Moreover, we also discuss the competition between the regular tunneling and the pair tunneling.

  1. Strong coupling expansion for the Bose-Hubbard and Jaynes-Cummings lattice models.

    PubMed

    Heil, Christoph; von der Linden, Wolfgang

    2012-07-25

    A strong coupling expansion based on the Kato-Bloch perturbation theory, which has recently been proposed by Eckardt et al (2009 Phys. Rev. B 79 195131) and Teichmann et al (2009 Phys. Rev. B 79 224515), is implemented in order to study various aspects of the Bose-Hubbard and Jaynes-Cummings lattice models. The approach, which allows us to generate numerically all diagrams up to a desired order in the interaction strength, is generalized for disordered systems and for the Jaynes-Cummings lattice model. Results for the Bose-Hubbard and Jaynes-Cummings lattice models will be presented and compared with results from the variational cluster approach and density matrix renormalization group. Our focus will be on the Mott insulator to superfluid transition.

  2. Breaking of SU(4) symmetry and interplay between strongly correlated phases in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Golubeva, A.; Sotnikov, A.; Cichy, A.; Kuneš, J.; Hofstetter, W.

    2017-03-01

    We study the thermodynamic properties of four-component fermionic mixtures described by the Hubbard model using the dynamical mean-field-theory approach. Special attention is given to the system with SU(4)-symmetric interactions at half filling, where we analyze equilibrium many-body phases and their coexistence regions at nonzero temperature for the case of simple cubic lattice geometry. We also determine the evolution of observables in low-temperature phases while lowering the symmetry of the Hamiltonian towards the two-band Hubbard model. This is achieved by varying interflavor interactions or by introducing the spin-flip term (Hund's coupling). By calculating the entropy for different symmetries of the model, we determine the optimal regimes for approaching the studied phases in experiments with ultracold alkali and alkaline-earth-like atoms in optical lattices.

  3. Methodes d'amas quantiques a temperature finie appliquees au modele de Hubbard

    NASA Astrophysics Data System (ADS)

    Plouffe, Dany

    Depuis leur decouverte dans les annees 80, les supraconducteurs a haute temperature critique ont suscite beaucoup d'interet en physique du solide. Comprendre l'origine des phases observees dans ces materiaux, telle la supraconductivite, est l'un des grands defis de la physique theorique du solide des 25 dernieres annees. L'un des mecanismes pressentis pour expliquer ces phenomenes est la forte interaction electron-electron. Le modele de Hubbard est l'un des modeles les plus simples pour tenir compte de ces interactions. Malgre la simplicite apparente de ce modele, certaines de ses caracteristiques, dont son diagramme de phase, ne sont toujours pas bien etablies, et ce malgre plusieurs avancements theoriques dans les dernieres annees. Cette etude se consacre a faire une analyse de methodes numeriques permettant de calculer diverses proprietes du modele de Hubbard en fonction de la temperature. Nous decrivons des methodes (la VCA et la CPT) qui permettent de calculer approximativement la fonction de Green a temperature finie sur un systeme infini a partir de la fonction de Green calculee sur un amas de taille finie. Pour calculer ces fonctions de Green, nous allons utiliser des methodes permettant de reduire considerablement les efforts numeriques necessaires pour les calculs des moyennes thermodynamiques, en reduisant considerablement l'espace des etats a considerer dans ces moyennes. Bien que cette etude vise d'abord a developper des methodes d'amas pour resoudre le modele de Hubbard a temperature finie de facon generale ainsi qu'a etudier les proprietes de base de ce modele, nous allons l'appliquer a des conditions qui s'approchent de supraconducteurs a haute temperature critique. Les methodes presentees dans cette etude permettent de tracer un diagramme de phase pour l'antiferromagnetisme et la supraconductivite qui presentent plusieurs similarites avec celui des supraconducteurs a haute temperature. Mots-cles : modele de Hubbard, thermodynamique

  4. The energy spectrum and the optical absorption spectrum of C{sub 60} fullerene within the Hubbard model

    SciTech Connect

    Silant’ev, A. V.

    2015-10-15

    Anticommutator Green’s functions and the energy spectrum of C{sub 60} fullerene are calculated in the approximation of static fluctuations within the Hubbard model. On the basis of this spectrum, an interpretation is proposed for the experimentally observed optical absorption bands of C{sub 60} fullerene. The parameters of C{sub 60} fullerene that characterize it within the Hubbard model are calculated by the optical absorption spectrum.

  5. Quantum quenches and off-equilibrium dynamical transition in the infinite-dimensional Bose-Hubbard model.

    PubMed

    Sciolla, Bruno; Biroli, Giulio

    2010-11-26

    We study the off-equilibrium dynamics of the infinite-dimensional Bose-Hubbard model after a quantum quench. The dynamics can be analyzed exactly by mapping it to an effective Newtonian evolution. For integer filling, we find a dynamical transition separating regimes of small and large quantum quenches starting from the superfluid state. This transition is very similar to the one found for the fermionic Hubbard model by mean field approximations.

  6. Observation of antiferromagnetic correlations in the Hubbard model with ultracold atoms

    NASA Astrophysics Data System (ADS)

    Hart, Russell A.; Duarte, Pedro M.; Yang, Tsung-Lin; Liu, Xinxing; Paiva, Thereza; Khatami, Ehsan; Scalettar, Richard T.; Trivedi, Nandini; Huse, David A.; Hulet, Randall G.

    2015-03-01

    Ultracold atoms in optical lattices have great potential to contribute to a better understanding of some of the most important issues in many-body physics, such as high-temperature superconductivity. The Hubbard model--a simplified representation of fermions moving on a periodic lattice--is thought to describe the essential details of copper oxide superconductivity. This model describes many of the features shared by the copper oxides, including an interaction-driven Mott insulating state and an antiferromagnetic (AFM) state. Optical lattices filled with a two-spin-component Fermi gas of ultracold atoms can faithfully realize the Hubbard model with readily tunable parameters, and thus provide a platform for the systematic exploration of its phase diagram. Realization of strongly correlated phases, however, has been hindered by the need to cool the atoms to temperatures as low as the magnetic exchange energy, and also by the lack of reliable thermometry. Here we demonstrate spin-sensitive Bragg scattering of light to measure AFM spin correlations in a realization of the three-dimensional Hubbard model at temperatures down to 1.4 times that of the AFM phase transition. This temperature regime is beyond the range of validity of a simple high-temperature series expansion, which brings our experiment close to the limit of the capabilities of current numerical techniques, particularly at metallic densities. We reach these low temperatures using a compensated optical lattice technique, in which the confinement of each lattice beam is compensated by a blue-detuned laser beam. The temperature of the atoms in the lattice is deduced by comparing the light scattering to determinant quantum Monte Carlo simulations and numerical linked-cluster expansion calculations. Further refinement of the compensated lattice may produce even lower temperatures which, along with light scattering thermometry, would open avenues for producing and characterizing other novel quantum states of

  7. J Freezing and Hund's Rules in Spin-Orbit-Coupled Multiorbital Hubbard Models

    NASA Astrophysics Data System (ADS)

    Kim, Aaram J.; Jeschke, Harald O.; Werner, Philipp; Valentí, Roser

    2017-02-01

    We investigate the phase diagram of the spin-orbit-coupled three orbital Hubbard model at arbitrary filling by means of dynamical mean-field theory combined with the continuous-time quantum Monte Carlo method. We find that the spin-freezing crossover occurring in the metallic phase of the nonrelativistic multiorbital Hubbard model can be generalized to a J -freezing crossover, with J =L +S , in the spin-orbit-coupled case. In the J -frozen regime the correlated electrons exhibit a nontrivial flavor selectivity and energy dependence. Furthermore, in the regions near n =2 and n =4 the metallic states are qualitatively different from each other, which reflects the atomic Hund's third rule. Finally, we explore the appearance of magnetic order from exciton condensation at n =4 and discuss the relevance of our results for real materials.

  8. A Riemann-Hilbert formulation for the finite temperature Hubbard model

    NASA Astrophysics Data System (ADS)

    Cavaglià, Andrea; Cornagliotto, Martina; Mattelliano, Massimo; Tateo, Roberto

    2015-06-01

    Inspired by recent results in the context of AdS/CFT integrability, we reconsider the Thermodynamic Bethe Ansatz equations describing the 1D fermionic Hubbard model at finite temperature. We prove that the infinite set of TBA equations are equivalent to a simple nonlinear Riemann-Hilbert problem for a finite number of unknown functions. The latter can be transformed into a set of three coupled nonlinear integral equations defined over a finite support, which can be easily solved numerically. We discuss the emergence of an exact Bethe Ansatz and the link between the TBA approach and the results by Jüttner, Klümper and Suzuki based on the Quantum Transfer Matrix method. We also comment on the analytic continuation mechanism leading to excited states and on the mirror equations describing the finite-size Hubbard model with twisted boundary conditions.

  9. J Freezing and Hund's Rules in Spin-Orbit-Coupled Multiorbital Hubbard Models.

    PubMed

    Kim, Aaram J; Jeschke, Harald O; Werner, Philipp; Valentí, Roser

    2017-02-24

    We investigate the phase diagram of the spin-orbit-coupled three orbital Hubbard model at arbitrary filling by means of dynamical mean-field theory combined with the continuous-time quantum Monte Carlo method. We find that the spin-freezing crossover occurring in the metallic phase of the nonrelativistic multiorbital Hubbard model can be generalized to a J-freezing crossover, with J=L+S, in the spin-orbit-coupled case. In the J-frozen regime the correlated electrons exhibit a nontrivial flavor selectivity and energy dependence. Furthermore, in the regions near n=2 and n=4 the metallic states are qualitatively different from each other, which reflects the atomic Hund's third rule. Finally, we explore the appearance of magnetic order from exciton condensation at n=4 and discuss the relevance of our results for real materials.

  10. Detecting phase transitions and crossovers in Hubbard models using the fidelity susceptibility

    NASA Astrophysics Data System (ADS)

    Huang, Li; Wang, Yilin; Wang, Lei; Werner, Philipp

    2016-12-01

    A generalized version of the fidelity susceptibility of single-band and multiorbital Hubbard models is systematically studied using single-site dynamical mean-field theory in combination with a hybridization expansion continuous-time quantum Monte Carlo impurity solver. We find that the fidelity susceptibility is extremely sensitive to changes in the state of the system. It can be used as a numerically inexpensive tool to detect and characterize a broad range of phase transitions and crossovers in Hubbard models, including (orbital-selective) Mott metal-insulator transitions, magnetic phase transitions, high-spin to low-spin transitions, Fermi-liquid to non-Fermi-liquid crossovers, and spin-freezing crossovers.

  11. Exact diagonalization and quantum Monte Carlo study of an ionic Hubbard model in two dimensions

    NASA Astrophysics Data System (ADS)

    Cho, Jongweon; Lee, Ji-Woo

    2017-03-01

    We study quantum phase transitions of an ionic Hubbard model in two dimensions. The ionic Hubbard model explains the quantum states of strongly correlated electrons under the influence of checkerboard-type alternating chemical potentials. For a given amplitude of the alternating potentials Δ, we obtain quantum ground states as we tune the local repulsive energy U between a spin-up electron and a spin-down electron by using an exact diagonalization method of a modified Lanczos algorithm. The system undergoes a quantum phase transition from a band insulator to a Mott insulator as U increases at half-filling. We find the signature of a quantum phase transition by investigating the behavior of ground-state energies and that of double occupancies for the size of L × L = 4 × 4, which was the largest possible lattice in this work. We compare our results with those of quantum Monte Carlo simulations employing the Hirsch-Fye algorithm.

  12. Magnetic and Superfluid Transitions in the One-Dimensional Spin-1 Boson Hubbard Model

    SciTech Connect

    Batrouni, G. G.; Rousseau, V. G.; Scalettar, R. T.

    2009-04-10

    Recent progress in experiments on trapped ultracold atoms has made it possible to study the interplay between magnetism and superfluid-insulator transitions in the boson Hubbard model. We report on quantum Monte Carlo simulations of the spin-1 boson Hubbard model in the ground state. For antiferromagnetic interactions favoring singlets, we present exact numerical evidence that the superfluid-insulator transition is first (second) order for even (odd) Mott lobes. Inside even lobes, we search for nematic-to-singlet first order transitions. In the ferromagnetic case where transitions are all continuous, we map the phase diagram and show the superfluid to be ferromagnetic. We compare the quantum Monte Carlo phase diagram with a third order perturbation calculation.

  13. Quantum gates and architecture for the quantum simulation of the Fermi-Hubbard model

    NASA Astrophysics Data System (ADS)

    Dallaire-Demers, Pierre-Luc; Wilhelm, Frank K.

    2016-12-01

    Quantum computers are the ideal platform for quantum simulations. Given enough coherent operations and qubits, such machines can be leveraged to simulate strongly correlated materials, where intricate quantum effects give rise to counterintuitive macroscopic phenomena such as high-temperature superconductivity. In this paper, we provide a gate decomposition and an architecture for a quantum simulator used to simulate the Fermi-Hubbard model in a hybrid variational quantum-classical algorithm. We propose a simple planar implementation-independent layout of qubits that can also be used to simulate more general fermionic systems. By working through a concrete application, we show the gate decomposition used to simulate the Hamiltonian of a cluster of the Fermi-Hubbard model. We briefly analyze the Trotter-Suzuki errors and estimate the scaling properties of the algorithm for more complex applications.

  14. Density matrix renormalization group study of the Anyon-Hubbard model

    NASA Astrophysics Data System (ADS)

    Arcila-Forero, J.; Franco, R.; Silva-Valencia, J.

    2016-02-01

    Recently optical lattices allow us to observe phase transition without the uncertainty posed by complex materials, and the simulations of these systems are an excellent bridge between materials-based condensed matter physics and cold atoms. In this way, the computational physics related to many-body problems have increased in importance. Using the density matrix renormalization group method, we studied a Hubbard model for anyons, which is an equivalent to a variant of the Bose-Hubbard model in which the bosonic hopping depends on the local density. This is an exact mapping between anyons and bosons in one dimension. The anyons interlope between bosons and fermions. For two anyons under particle exchange, the wave function acquires a fractional phase eiθ . We conclude that this system exhibits two phases: Mott-insulator and superfluid. We present the phase diagram for some angles. The Mott lobe increases with an increase of the statistical. We observed a reentrance phase transition for all lobes. We showed that the model studied is in the same universality class as the Bose-Hubbard model with two-body interactions.

  15. The asymmetric Hubbard model with a confining potential: The partial filling case

    NASA Astrophysics Data System (ADS)

    Silva-Valencia, J.; Franco, R.; Figueira, M. S.

    We investigate the one-dimensional asymmetric Hubbard model with a confining potential, which may describe the ground state of two species of fermionic atoms trapped in a one-dimensional optical lattice. We use White's density matrix renormalization group and the global electronic density considered is n=0.8. The fermion density profiles and their variance were computed. We observe coexistence of insulating and metallic regions in the system. The effective confinement region is different for each kind of fermionic atom.

  16. Exact solution of the one-dimensional Hubbard model with arbitrary boundary magnetic fields

    NASA Astrophysics Data System (ADS)

    Li, Yuan-Yuan; Cao, Junpeng; Yang, Wen-Li; Shi, Kangjie; Wang, Yupeng

    2014-02-01

    The one-dimensional Hubbard model with arbitrary boundary magnetic fields is solved exactly via the Bethe ansatz methods. With the coordinate Bethe ansatz in the charge sector, the second eigenvalue problem associated with the spin sector is constructed. It is shown that the second eigenvalue problem can be transformed into that of the inhomogeneous XXX spin chain with arbitrary boundary fields which can be solved via the off-diagonal Bethe ansatz method.

  17. Coexistence of Incommensurate Magnetism and Superconductivity in the Two-Dimensional Hubbard Model.

    PubMed

    Yamase, Hiroyuki; Eberlein, Andreas; Metzner, Walter

    2016-03-04

    We analyze the competition of magnetism and superconductivity in the two-dimensional Hubbard model with a moderate interaction strength, including the possibility of incommensurate spiral magnetic order. Using an unbiased renormalization group approach, we compute magnetic and superconducting order parameters in the ground state. In addition to previously established regions of Néel order coexisting with d-wave superconductivity, the calculations reveal further coexistence regions where superconductivity is accompanied by incommensurate magnetic order.

  18. The Bose-Hubbard model: from Josephson junction arrays to optical lattices

    NASA Astrophysics Data System (ADS)

    Bruder, C.; Fazio, R.; Schön, G.

    2005-09-01

    [Dedicated to Bernhard Mühlschlegel on the occasion ofhis 80th birthday]The Bose-Hubbard model is a paradigm for the study of strongly correlated bosonic systems. We review some of its properties with emphasis on the implications on quantum phase transitions of Josephson junction arrays and quantum dynamics of topological excitations as well as the properties of ultra-cold atoms in optical lattices.

  19. Density matrix embedding theory studies of the two-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Zheng, Bo-Xiao

    Density matrix embedding theory (DMET) provides a quantum embedding framework to compute the electronic structure in strongly correlated lattice systems. It has been applied to various model Hamiltonians and ab initio systems. In this talk, I will review the results obtained in the two-dimensional one-band Hubbard model using DMET. Over the last years, we mapped a calibrated ground-state phase diagram of the two-dimensional Hubbard model, concerning magnetic, superconducting and various inhomogeneous phases. Based on the results from this work, as well as the consistent data from other numerical methods, we are able to conclude that many parts of the Hubbard phase diagram is already settled up to an accurate energy scale of 0.001t. Recently, by using large-scale auxiliary-field quantum Monte Carlo (AFQMC) in the impurity problem, we are able to treat much larger embedded clusters at half-filling (and with the constrained path approximation at non-half-filling), which provides a deeper understanding on the finite-size effects of energy and observables in both quantum embedding and finite cluster numerical methods. Finally, we systematically investigated the putative inhomogeneous phases in the underdoped, strong coupling Hubbard model, proposing new inhomogeneous patterns as strong candidates for the ground state. Reference: [1] Bo-Xiao Zheng, Garnet K.-L. Chan, arXiv:1504.01784 [2] J.P.F. Leblanc, Andrey E. Antipov, et al., arXiv:1505.02290 We acknowledge funding from the US Department of Energy, Office of Science, through DE-SC0008624 and DE-SC0010530. This work was also performed as part of the Simons Collaboration on the Many Electron Problem, sponsored by the Simons Foundation.

  20. Monte Carlo calculation of dynamical properties of the two-dimensional Hubbard model

    NASA Technical Reports Server (NTRS)

    White, S. R.; Scalapino, D. J.; Sugar, R. L.; Bickers, N. E.

    1989-01-01

    A new method is introduced for analytically continuing imaginary-time data from quantum Monte Carlo calculations to the real-frequency axis. The method is based on a least-squares-fitting procedure with constraints of positivity and smoothness on the real-frequency quantities. Results are shown for the single-particle spectral-weight function and density of states for the half-filled, two-dimensional Hubbard model.

  1. Density matrix spectra and order parameters in the 1D extended Hubbard model

    NASA Astrophysics Data System (ADS)

    Yu, Wing Chi; Gu, Shi-Jian; Lin, Hai-Qing

    2016-09-01

    Without any knowledge of the symmetry existing in a system, we derive the exact forms of the order parameters which show long-range correlations in the ground state of the one-dimensional (1D) extended Hubbard model using a quantum information approach. Our work demonstrates that the quantum information approach can help us to find the explicit form of the order parameter, which could not be derived systematically via traditional methods in the condensed matter theory.

  2. Elementary excitations for the one-dimensional Hubbard model at finite temperatures

    NASA Astrophysics Data System (ADS)

    Tomiyama, A.; Suga, S.; Okiji, A.

    1997-07-01

    The elementary excitations for the one-dimensional Hubbard model at finite temperatures are studied with the use of the Bethe ansatz solution. The formulation is based on the method of Yang and Yang, which was developed for the one-dimensional boson systems with the 0953-8984/9/27/014/img1-function type interaction. The dispersion relations and the excitation spectrums are obtained numerically for the charge and the spin degrees of freedom.

  3. Superconductivity in an attractive two-band Hubbard model with second nearest neighbors

    NASA Astrophysics Data System (ADS)

    Peraza-Salcedo, D. A.; Rodríguez-Núñez, J. J.; Bonalde, I.; Schmidt, A. A.

    2017-04-01

    This work extends the calculations performed by G. Litak, T. Örd, K. Rägo, and A. Vargunin, Physica C 483, 30 (2012), by including second nearest neighbors in an attractive two-orbital Hubbard model. We assumed that both the intra-orbital (Ui, i, with i = 1 , 2) and the inter-orbital Hubbard correlations (Ui, j, with i ≠ j) are negative; namely, Ui, j ≤ 0, ∀(i, j). We calculated the T - n phase diagram in the mean-field approximation. For a finite chemical potential ξ10 and a certain second nearest-neighbor parameter t2 superconductivity develops in two dome-like regions, each of which has its own energy gap. Notoriously, for t2 / |t1 | = 0.70 and ξ10 / |t1 | = 3 , where t1 is the nearest-neighbor parameter, Tc becomes zero around n = 2.5 .

  4. TOPICAL REVIEW: W = 0 pairing in Hubbard and related models of low-dimensional superconductors

    NASA Astrophysics Data System (ADS)

    Balzarotti, Adalberto; Cini, Michele; Perfetto, Enrico; Stefanucci, Gianluca

    2004-12-01

    Lattice Hamiltonians with on-site interaction W have W = 0 solutions, that is, many-body singlet eigenstates without double occupation. In particular, W = 0 pairs give a clue to understand the pairing force in repulsive Hubbard models. These eigenstates are found in systems with high enough symmetry, like the square, hexagonal or triangular lattices. By a general theorem, we propose a systematic way to construct all the W = 0 pairs of a given Hamiltonian. We also introduce a canonical transformation to calculate the effective interaction between the particles of such pairs. In geometries appropriate for the CuO2 planes of cuprate superconductors, armchair carbon nanotubes, or cobalt oxide planes, the dressed pair becomes a bound state in a physically relevant range of parameters. We also show that W = 0 pairs quantize the magnetic flux as superconducting pairs do. The pairing mechanism breaks down in the presence of strong distortions. The W = 0 pairs are also the building blocks for the antiferromagnetic ground state of the half-filled Hubbard model at weak coupling. Our analytical results for the 4 × 4 Hubbard square lattice, compared to available numerical data, demonstrate that the method, besides providing an intuitive grasp on pairing, also has quantitative predictive power. We also consider including phonon effects in this scenario. Preliminary calculations with small clusters indicate that vector phonons hinder pairing while half-breathing modes are synergic with the W = 0 pairing mechanism both at weak coupling and in the polaronic regime.

  5. Studying Zeolite Catalysts with a 2D Model System

    SciTech Connect

    Boscoboinik, Anibal

    2016-12-07

    Anibal Boscoboinik, a materials scientist at Brookhaven’s Center for Functional Nanomaterials, discusses the surface-science tools and 2D model system he uses to study catalysis in nanoporous zeolites, which catalyze reactions in many industrial processes.

  6. Technical Review of the UNET2D Hydraulic Model

    SciTech Connect

    Perkins, William A.; Richmond, Marshall C.

    2009-05-18

    The Kansas City District of the US Army Corps of Engineers is engaged in a broad range of river management projects that require knowledge of spatially-varied hydraulic conditions such as velocities and water surface elevations. This information is needed to design new structures, improve existing operations, and assess aquatic habitat. Two-dimensional (2D) depth-averaged numerical hydraulic models are a common tool that can be used to provide velocity and depth information. Kansas City District is currently using a specific 2D model, UNET2D, that has been developed to meet the needs of their river engineering applications. This report documents a tech- nical review of UNET2D.

  7. Engineering extended Hubbard models with Zeeman excitations of ultracold Dy atoms

    NASA Astrophysics Data System (ADS)

    Vargas-Hernández, R. A.; Krems, R. V.

    2016-12-01

    We show that Zeeman excitations of ultracold Dy atoms trapped in an optical lattice can be used to engineer extended Hubbard models with tunable inter-site and particle number-non-conserving interactions. We show that the ratio of the hopping amplitude and inter-site interactions in these lattice models can be tuned in a wide range by transferring the atoms to different Zeeman states. We propose to use the resulting controllable models for the study of the effects of direct particle interactions and particle number-non-conserving terms on Anderson localization.

  8. 2D microscopic model of graphene fracture properties

    NASA Astrophysics Data System (ADS)

    Hess, Peter

    2015-05-01

    An analytical two-dimensional (2D) microscopic fracture model based on Morse-type interaction is derived containing no adjustable parameter. From the 2D Young’s moduli and 2D intrinsic strengths of graphene measured by nanoindentation based on biaxial tension and calculated by density functional theory for uniaxial tension the widely unknown breaking force, line or edge energy, surface energy, fracture toughness, and strain energy release rate were determined. The simulated line energy agrees well with ab initio calculations and the fracture toughness of perfect graphene sheets is in good agreement with molecular dynamics simulations and the fracture toughness evaluated for defective graphene using the Griffith relation. Similarly, the estimated critical strain energy release rate agrees well with result of various theoretical approaches based on the J-integral and surface energy. The 2D microscopic model, connecting 2D and three-dimensional mechanical properties in a consistent way, provides a versatile relationship to easily access all relevant fracture properties of pristine 2D solids.

  9. Local moment approach as a quantum impurity solver for the Hubbard model

    NASA Astrophysics Data System (ADS)

    Barman, Himadri

    2016-07-01

    The local moment approach (LMA) has presented itself as a powerful semianalytical quantum impurity solver (QIS) in the context of the dynamical mean-field theory (DMFT) for the periodic Anderson model and it correctly captures the low-energy Kondo scale for the single impurity model, having excellent agreement with the Bethe ansatz and numerical renormalization group (NRG) results. However, the most common correlated lattice model, the Hubbard model, has not been explored well within the LMA+DMFT framework beyond the insulating phase. Here in our work, within the framework we complete the filling-interaction phase diagram of the single band Hubbard model at zero temperature. Our formalism is generic to any particle filling and can be extended to finite temperature. We contrast our results with another QIS, namely the iterated perturbation theory (IPT) and show that the second spectral moment sum rule improves better as the Hubbard interaction strength grows stronger in LMA, whereas it severely breaks down after the Mott transition in IPT. For the metallic case, the Fermi liquid (FL) scaling agreement with the NRG spectral density supports the fact that the FL scale emerges from the inherent Kondo physics of the impurity model. We also show that, in the metallic phase, the FL scaling of the spectral density leads to universality which extends to infinite frequency range at infinite correlation strength (strong coupling). At large interaction strength, the off half-filling spectral density forms a pseudogap near the Fermi level and filling-controlled Mott transition occurs as one approaches the half-filling. As a response property, we finally study the zero temperature optical conductivity and find universal features such as absorption peak position governed by the FL scale and a doping independent crossing point, often dubbed the isosbestic point in experiments.

  10. Topological Phase Transitions in the Repulsively Interacting Haldane-Hubbard Model.

    PubMed

    Vanhala, Tuomas I; Siro, Topi; Liang, Long; Troyer, Matthias; Harju, Ari; Törmä, Päivi

    2016-06-03

    Using dynamical mean-field theory and exact diagonalization we study the phase diagram of the repulsive Haldane-Hubbard model, varying the interaction strength and the sublattice potential difference. In addition to the quantum Hall phase with Chern number C=2 and the band insulator with C=0 present already in the noninteracting model, the system also exhibits a C=0 Mott insulating phase, and a C=1 quantum Hall phase. We explain the latter phase by a spontaneous symmetry breaking where one of the spin components is in the Hall state and the other in the band insulating state.

  11. Doping-driven metal-insulator transitions and charge orderings in the extended Hubbard model

    NASA Astrophysics Data System (ADS)

    Kapcia, K. J.; Robaszkiewicz, S.; Capone, M.; Amaricci, A.

    2017-03-01

    We perform a thorough study of the extended Hubbard model featuring local and nearest-neighbor Coulomb repulsion. Using the dynamical mean-field theory we investigated the zero-temperature phase diagram of this model as a function of the chemical doping. The interplay between local and nonlocal interactions drives a variety of phase transitions connecting two distinct charge-ordered insulators, i.e., half filled and quarter filled, a charge-ordered metal and a Mott-insulating phase. We characterize these transitions and the relative stability of the solutions and we show that the two interactions conspire to stabilize the quarter-filled charge-ordered phase.

  12. Quantum rotor description of the Mott-insulator transition in the Bose-Hubbard model

    SciTech Connect

    Polak, T. P.; Kopec, T. K.

    2007-09-01

    We present an approach to the Bose-Hubbard model using the U(1) quantum rotor description. The effective action formalism allows us to formulate a problem in the phase only action and obtain analytical formulas for the critical lines. We show that the nontrivial U(1) phase field configurations have an impact on the phase diagrams. The topological character of the quantum field is governed by terms of the integer charges--winding numbers. The comparison of presented results to recently obtained quantum Monte Carlo numerical calculations suggests that the competition between quantum effects in strongly interacting boson systems is correctly captured by our model.

  13. Quantum Monte Carlo method for the Bose-Hubbard model with harmonic confining potential.

    PubMed

    Kato, Yasuyuki; Kawashima, Naoki

    2009-02-01

    We study the Bose-Hubbard model with an external harmonic field, which is effective for modeling a cold atomic Bose gas trapped in an optical lattice. We modify the directed-loop algorithm to simulate large systems efficiently. As a demonstration we carry out the simulation of a system consisting of 1. 8 x 10{5} particles on a 64{3} lattice. These numbers are comparable to those in the pioneering experimental work by Greiner [Nature (London) 415, 39 (2002)]. Furthermore, we observe coherence between two superfluid spheres separated by a Mott insulator region in a "wedding-cake" structure.

  14. An Intercomparison of 2-D Models Within a Common Framework

    NASA Technical Reports Server (NTRS)

    Weisenstein, Debra K.; Ko, Malcolm K. W.; Scott, Courtney J.; Jackman, Charles H.; Fleming, Eric L.; Considine, David B.; Kinnison, Douglas E.; Connell, Peter S.; Rotman, Douglas A.; Bhartia, P. K. (Technical Monitor)

    2002-01-01

    A model intercomparison among the Atmospheric and Environmental Research (AER) 2-D model, the Goddard Space Flight Center (GSFC) 2-D model, and the Lawrence Livermore National Laboratory 2-D model allows us to separate differences due to model transport from those due to the model's chemical formulation. This is accomplished by constructing two hybrid models incorporating the transport parameters of the GSFC and LLNL models within the AER model framework. By comparing the results from the native models (AER and e.g. GSFC) with those from the hybrid model (e.g. AER chemistry with GSFC transport), differences due to chemistry and transport can be identified. For the analysis, we examined an inert tracer whose emission pattern is based on emission from a High Speed Civil Transport (HSCT) fleet; distributions of trace species in the 2015 atmosphere; and the response of stratospheric ozone to an HSCT fleet. Differences in NO(y) in the upper stratosphere are found between models with identical transport, implying different model representations of atmospheric chemical processes. The response of O3 concentration to HSCT aircraft emissions differs in the models from both transport-dominated differences in the HSCT-induced perturbations of H2O and NO(y) as well as from differences in the model represent at ions of O3 chemical processes. The model formulations of cold polar processes are found to be the most significant factor in creating large differences in the calculated ozone perturbations

  15. Magnetic and metallic state at intermediate Hubbard U coupling in multiorbital models for undoped iron pnictides

    SciTech Connect

    Yu, Rong; Trinh, Kien T.; Moreo, Adriana; Daghofer, Maria; Riera, J. A.; Haas, Stephan; Dagotto, Elbio R

    2009-01-01

    Multiorbital Hubbard model Hamiltonians for the undoped parent compounds of the Fe-pnictide superconductors are investigated here using mean-field techniques. For a realistic four-orbital model, our results show the existence of an intermediate Hubbard U coupling regime where the mean-field ground state has a ,0 antiferromagnetic order, as in neutron-scattering experiments, while remaining metallic due to the phenomenon of band overlaps. The angle-resolved photoemission intensity and Fermi surface of this magnetic and metallic state are discussed. Other models are also investigated, including a two-orbital model where not only the mean-field technique can be used but also the exact diagonalization in small clusters and the variational cluster approximation in the bulk. The combined results of the three techniques point toward the existence of an intermediate-coupling magnetic and metallic state in the two-orbital model, similar to the intermediatecoupling mean-field state of the four-orbital model. We conclude that the state discussed here is compatible with the experimentally known properties of the undoped Fe pnictides.

  16. Spontaneously Symmetry-Breaking States in the Attractive SU(N) Hubbard Model

    NASA Astrophysics Data System (ADS)

    Koga, Akihisa; Yanatori, Hiromasa

    2017-03-01

    We investigate spontaneously symmetry-breaking states in the attractive SU(N) Hubbard model at half filling. Combining dynamical mean-field theory with the continuous-time quantum Monte Carlo method, we obtain finite-temperature phase diagrams for the superfluid state. When N > 2, a second-order phase transition occurs in the weak coupling region, while a first-order phase transition with hysteresis appears in the strong coupling region. We also discuss the stability of the density wave state and clarify the component dependence of the maximum critical temperature.

  17. Phase separation and pairing regimes in the one-dimensional asymmetric Hubbard model

    SciTech Connect

    Barbiero, L.; Casadei, M.; Dalmonte, M.; Ercolessi, E.; Ortolani, F.

    2010-06-01

    We address some open questions regarding the phase diagram of the one-dimensional Hubbard model with asymmetric hopping coefficients and balanced species. In the attractive regime we present a numerical study of the passage from on-site pairing dominant correlations at small asymmetries to charge-density waves in the region with markedly different hopping coefficients. In the repulsive regime we exploit two analytical treatments in the strong- and weak-coupling regimes in order to locate the onset of phase separation at small and large asymmetries, respectively.

  18. Slave-boson mean field versus quantum Monte Carlo results for the Hubbard model

    NASA Astrophysics Data System (ADS)

    Lilly, L.; Muramatsu, A.; Hanke, W.

    1990-09-01

    The one-band Hubbard model is considered in the slave-boson formulation first introduced by Kotliar and Ruckenstein. It is shown that a mean-field approximation, where broken-symmetry states appropriate for a bipartite lattice are allowed, leads to a quantitative agreement with quantum Monte Carlo results for local observables over a wide range of interactions (0<=1). Thus, our saddle-point solutions constitute an excellent starting point for a systematic treatment of fluctuations.

  19. Phase diagrams of the Bose-Fermi-Hubbard model at finite temperature.

    PubMed

    Mysakovych, T S

    2010-09-08

    The phase transitions at finite temperatures in the systems described by the Bose-Fermi-Hubbard model are investigated in this work in the framework of the self-consistent random phase approximation. The case of the hard-core bosons is considered and the pseudospin formalism is used. The density-density correlator is calculated in the random phase approximation and the possibilities of transitions from superfluid to supersolid phases are investigated. It is shown that the transitions between uniform and charge-ordered phases can be of the second or the first order, depending on the system parameters.

  20. Phase diagram of the commensurate two-dimensional disordered Bose-Hubbard model.

    PubMed

    Söyler, S G; Kiselev, M; Prokof'ev, N V; Svistunov, B V

    2011-10-28

    We establish the full ground state phase diagram of the disordered Bose-Hubbard model in two dimensions at a unity filling factor via quantum Monte Carlo simulations. Similarly to the three-dimensional case we observe extended superfluid regions persisting up to extremely large values of disorder and interaction strength which, however, have small superfluid fractions and thus low transition temperatures. In the vicinity of the superfluid-insulator transition of the pure system, we observe an unexpectedly weak--almost not resolvable--sensitivity of the critical interaction to the strength of (weak) disorder.

  1. Prethermal Floquet Steady States and Instabilities in the Periodically Driven, Weakly Interacting Bose-Hubbard Model.

    PubMed

    Bukov, Marin; Gopalakrishnan, Sarang; Knap, Michael; Demler, Eugene

    2015-11-13

    We explore prethermal Floquet steady states and instabilities of the weakly interacting two-dimensional Bose-Hubbard model subject to periodic driving. We develop a description of the nonequilibrium dynamics, at arbitrary drive strength and frequency, using a weak-coupling conserving approximation. We establish the regimes in which conventional (zero-momentum) and unconventional [(π,π)-momentum] condensates are stable on intermediate time scales. We find that condensate stability is enhanced by increasing the drive strength, because this decreases the bandwidth of quasiparticle excitations and thus impedes resonant absorption and heating. Our results are directly relevant to a number of current experiments with ultracold bosons.

  2. Quench field sensitivity of two-particle correlation in a Hubbard model

    PubMed Central

    Zhang, X. Z.; Lin, S.; Song, Z.

    2016-01-01

    Short-range interaction can give rise to particle pairing with a short-range correlation, which may be destroyed in the presence of an external field. We study the transition between correlated and uncorrelated particle states in the framework of one- dimensional Hubbard model driven by a field. We show that the long time-scale transfer rate from an initial correlated state to final uncorrelated particle states is sensitive to the quench field strength and exhibits a periodic behavior. This process involves an irreversible energy transfer from the field to particles, leading to a quantum electrothermal effect. PMID:27250080

  3. Ground-state fidelity and bipartite entanglement in the Bose-Hubbard model.

    PubMed

    Buonsante, P; Vezzani, A

    2007-03-16

    We analyze the quantum phase transition in the Bose-Hubbard model borrowing two tools from quantum-information theory, i.e., the ground-state fidelity and entanglement measures. We consider systems at unitary filling comprising up to 50 sites and show for the first time that a finite-size scaling analysis of these quantities provides excellent estimates for the quantum critical point. We conclude that fidelity is particularly suited for revealing a quantum phase transition and pinning down the critical point thereof, while the success of entanglement measures depends on the mechanisms governing the transition.

  4. Dimerized ground state in the one-dimensional spin-1 boson Hubbard model

    SciTech Connect

    Apaja, Vesa; Syljuaasen, Olav F.

    2006-09-15

    We have investigated the one-dimensional spin-1 boson Hubbard model with antiferromagnetic interactions using quantum Monte Carlo methods. We obtain the shapes of the two lowest Mott lobes and show that the ground state within the lowest Mott lobe is dimerized. The results presented here are relevant for optically trapped antiferromagnetic spin-1 bosons. An experimental signature of the dimerized ground state is modulated Bragg peaks in the noise distribution of the atomic cloud obtained after switching off the trap. These Bragg peaks are located at wave vectors corresponding to half-integer multiples of the reciprocal wave vector of the optical lattice.

  5. Metal-Insulator Transition in the Hubbard Model: Correlations and Spiral Magnetic Structures

    NASA Astrophysics Data System (ADS)

    Timirgazin, Marat A.; Igoshev, Petr A.; Arzhnikov, Anatoly K.; Irkhin, Valentin Yu.

    2016-12-01

    The metal-insulator transition (MIT) for the square, simple cubic, and body-centered cubic lattices is investigated within the t-t^' Hubbard model at half-filling by using both the generalized for the case of spiral order Hartree-Fock approximation (HFA) and Kotliar-Ruckenstein slave-boson approach. It turns out that the magnetic scenario of MIT becomes superior over the non-magnetic one. The electron correlations lead to some suppression of the spiral phases in comparison with HFA. We found the presence of a metallic antiferromagnetic (spiral) phase in the case of three-dimensional lattices.

  6. Ultralong-range order in the Fermi-Hubbard model with long-range interactions

    NASA Astrophysics Data System (ADS)

    van Loon, Erik G. C. P.; Katsnelson, Mikhail I.; Lemeshko, Mikhail

    2015-08-01

    We use the dual boson approach to reveal the phase diagram of the Fermi-Hubbard model with long-range dipole-dipole interactions. By using a large-scale finite-temperature calculation on a 64 ×64 square lattice we demonstrate the existence of a novel phase, possessing an "ultralong-range" order. The fingerprint of this phase—the density correlation function—features a nontrivial behavior on a scale of tens of lattice sites. We study the properties and the stability of the ultralong-range-ordered phase, and show that it is accessible in modern experiments with ultracold polar molecules and magnetic atoms.

  7. Extended Bose Hubbard model of interacting bosonic atoms in optical lattices: From superfluidity to density waves

    SciTech Connect

    Mazzarella, G.; Giampaolo, S. M.; Illuminati, F.

    2006-01-15

    For systems of interacting, ultracold spin-zero neutral bosonic atoms, harmonically trapped and subject to an optical lattice potential, we derive an Extended Bose Hubbard (EBH) model by developing a systematic expansion for the Hamiltonian of the system in powers of the lattice parameters and of a scale parameter, the lattice attenuation factor. We identify the dominant terms that need to be retained in realistic experimental conditions, up to nearest-neighbor interactions and nearest-neighbor hoppings conditioned by the on-site occupation numbers. In the mean field approximation, we determine the free energy of the system and study the phase diagram both at zero and at finite temperature. At variance with the standard on site Bose Hubbard model, the zero-temperature phase diagram of the EBH model possesses a dual structure in the Mott insulating regime. Namely, for specific ranges of the lattice parameters, a density wave phase characterizes the system at integer fillings, with domains of alternating mean occupation numbers that are the atomic counterparts of the domains of staggered magnetizations in an antiferromagnetic phase. We show as well that in the EBH model, a zero-temperature quantum phase transition to pair superfluidity is, in principle, possible, but completely suppressed at the lowest order in the lattice attenuation factor. Finally, we determine the possible occurrence of the different phases as a function of the experimentally controllable lattice parameters.

  8. Studying Zeolite Catalysts with a 2D Model System

    ScienceCinema

    Boscoboinik, Anibal

    2016-12-14

    Anibal Boscoboinik, a materials scientist at Brookhaven’s Center for Functional Nanomaterials, discusses the surface-science tools and 2D model system he uses to study catalysis in nanoporous zeolites, which catalyze reactions in many industrial processes.

  9. Gold-standard performance for 2D hydrodynamic modeling

    NASA Astrophysics Data System (ADS)

    Pasternack, G. B.; MacVicar, B. J.

    2013-12-01

    Two-dimensional, depth-averaged hydrodynamic (2D) models are emerging as an increasingly useful tool for environmental water resources engineering. One of the remaining technical hurdles to the wider adoption and acceptance of 2D modeling is the lack of standards for 2D model performance evaluation when the riverbed undulates, causing lateral flow divergence and convergence. The goal of this study was to establish a gold-standard that quantifies the upper limit of model performance for 2D models of undulating riverbeds when topography is perfectly known and surface roughness is well constrained. A review was conducted of published model performance metrics and the value ranges exhibited by models thus far for each one. Typically predicted velocity differs from observed by 20 to 30 % and the coefficient of determination between the two ranges from 0.5 to 0.8, though there tends to be a bias toward overpredicting low velocity and underpredicting high velocity. To establish a gold standard as to the best performance possible for a 2D model of an undulating bed, two straight, rectangular-walled flume experiments were done with no bed slope and only different bed undulations and water surface slopes. One flume tested model performance in the presence of a porous, homogenous gravel bed with a long flat section, then a linear slope down to a flat pool bottom, and then the same linear slope back up to the flat bed. The other flume had a PVC plastic solid bed with a long flat section followed by a sequence of five identical riffle-pool pairs in close proximity, so it tested model performance given frequent undulations. Detailed water surface elevation and velocity measurements were made for both flumes. Comparing predicted versus observed velocity magnitude for 3 discharges with the gravel-bed flume and 1 discharge for the PVC-bed flume, the coefficient of determination ranged from 0.952 to 0.987 and the slope for the regression line was 0.957 to 1.02. Unsigned velocity

  10. Dissipative preparation of antiferromagnetic order in the Fermi-Hubbard model

    NASA Astrophysics Data System (ADS)

    Kaczmarczyk, J.; Weimer, H.; Lemeshko, M.

    2016-09-01

    The Fermi-Hubbard model is one of the key models of condensed matter physics, which holds a potential for explaining the mystery of high-temperature superconductivity. Recent progress in ultracold atoms in optical lattices has paved the way to studying the model’s phase diagram using the tools of quantum simulation, which emerged as a promising alternative to the numerical calculations plagued by the infamous sign problem. However, the temperatures achieved using elaborate laser cooling protocols so far have been too high to show the appearance of antiferromagnetic (AF) and superconducting quantum phases directly. In this work, we demonstrate that using the machinery of dissipative quantum state engineering, one can observe the emergence of the AF order in the Fermi-Hubbard model with fermions in optical lattices. The core of the approach is to add incoherent laser scattering in such a way that the AF state emerges as the dark state of the driven-dissipative dynamics. The proposed controlled dissipation channels described in this work are straightforward to add to already existing experimental setups.

  11. From the Hubbard to a Plaquette Boson-Fermion Model for Cuprates

    NASA Astrophysics Data System (ADS)

    Altman, Ehud; Auerbach, Assa

    2002-03-01

    We describe a systematic approach to connect the microscopic physics of the Hubbard model to the phenomena of underdoped High Tc cuprate superconductors. We apply the Contractor Renormalization method of Morningstar and Weinstein to reduce the strongly interacting Hubbard model on the square lattice to the low energy Plaquette Boson Fermion Model (PBFM). The four bosons (an antiferromagnon triplet and a d-wave hole pair), and the fermions are defined by the lowest plaquette eigenstates. We compute the boson effective interactions, and the range-3 truncation error is found to be very small, signaling short hole-pair and magnon coherence lengths. The pair-hopping and magnon interactions are comparable, which explains the rapid destruction of antiferromagnetic order with emergence of superconductivity, and validates a key assumption of the projected SO(5) theory. A vacuum crossing at larger doping marks a transition into the overdoped regime. The PBFM includes hole fermions occupying small Fermi pockets and Andreev coupled to hole pair bosons. In mean field theory it exhibits a pairing gap near the nodes, which grows with Tc and a pseudogap with oposite doping dependence. The PBFM yields several testable predictions for photoemmission, tunneling asymmetry and thermodynamic measurements.

  12. Instantons in 2D U(1) Higgs model and 2D CP(N-1) sigma models

    NASA Astrophysics Data System (ADS)

    Lian, Yaogang

    2007-12-01

    In this thesis I present the results of a study of the topological structures of 2D U(1) Higgs model and 2D CP N-1 sigma models. Both models have been studied using the overlap Dirac operator construction of topological charge density. The overlap operator provides a more incisive probe into the local topological structure of gauge field configurations than the traditional plaquette-based operator. In the 2D U(1) Higgs model, we show that classical instantons with finite sizes violate the negativity of topological charge correlator by giving a positive contribution to the correlator at non-zero separation. We argue that instantons in 2D U(1) Higgs model must be accompanied by large quantum fluctuations in order to solve this contradiction. In 2D CPN-1 sigma models, we observe the anomalous scaling behavior of the topological susceptibility chi t for N ≤ 3. The divergence of chi t in these models is traced to the presence of small instantons with a radius of order a (= lattice spacing), which are directly observed on the lattice. The observation of these small instantons provides detailed confirmation of Luscher's argument that such short-distance excitations, with quantized topological charge, should be the dominant topological fluctuations in CP1 and CP 2, leading to a divergent topological susceptibility in the continuum limit. For the CPN-1 models with N > 3 the topological susceptibility is observed to scale properly with the mass gap. Another topic presented in this thesis is an implementation of the Zolotarev optimal rational approximation for the overlap Dirac operator. This new implementation has reduced the time complexity of the overlap routine from O(N3 ) to O(N), where N is the total number of sites on the lattice. This opens up a door to more accurate lattice measurements in the future.

  13. Hubbard Model for Atomic Impurities Bound by the Vortex Lattice of a Rotating Bose-Einstein Condensate

    NASA Astrophysics Data System (ADS)

    Johnson, T. H.; Yuan, Y.; Bao, W.; Clark, S. R.; Foot, C.; Jaksch, D.

    2016-06-01

    We investigate cold bosonic impurity atoms trapped in a vortex lattice formed by condensed bosons of another species. We describe the dynamics of the impurities by a bosonic Hubbard model containing occupation-dependent parameters to capture the effects of strong impurity-impurity interactions. These include both a repulsive direct interaction and an attractive effective interaction mediated by the Bose-Einstein condensate. The occupation dependence of these two competing interactions drastically affects the Hubbard model phase diagram, including causing the disappearance of some Mott lobes.

  14. Hubbard Model for Atomic Impurities Bound by the Vortex Lattice of a Rotating Bose-Einstein Condensate.

    PubMed

    Johnson, T H; Yuan, Y; Bao, W; Clark, S R; Foot, C; Jaksch, D

    2016-06-17

    We investigate cold bosonic impurity atoms trapped in a vortex lattice formed by condensed bosons of another species. We describe the dynamics of the impurities by a bosonic Hubbard model containing occupation-dependent parameters to capture the effects of strong impurity-impurity interactions. These include both a repulsive direct interaction and an attractive effective interaction mediated by the Bose-Einstein condensate. The occupation dependence of these two competing interactions drastically affects the Hubbard model phase diagram, including causing the disappearance of some Mott lobes.

  15. 2-D Magnetohydrodynamic Modeling of A Pulsed Plasma Thruster

    NASA Technical Reports Server (NTRS)

    Thio, Y. C. Francis; Cassibry, J. T.; Wu, S. T.; Rodgers, Stephen L. (Technical Monitor)

    2002-01-01

    Experiments are being performed on the NASA Marshall Space Flight Center (MSFC) MK-1 pulsed plasma thruster. Data produced from the experiments provide an opportunity to further understand the plasma dynamics in these thrusters via detailed computational modeling. The detailed and accurate understanding of the plasma dynamics in these devices holds the key towards extending their capabilities in a number of applications, including their applications as high power (greater than 1 MW) thrusters, and their use for producing high-velocity, uniform plasma jets for experimental purposes. For this study, the 2-D MHD modeling code, MACH2, is used to provide detailed interpretation of the experimental data. At the same time, a 0-D physics model of the plasma initial phase is developed to guide our 2-D modeling studies.

  16. Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model

    NASA Astrophysics Data System (ADS)

    Li, S.; Kaushal, N.; Wang, Y.; Tang, Y.; Alvarez, G.; Nocera, A.; Maier, T. A.; Dagotto, E.; Johnston, S.

    2016-12-01

    We study nonlocal correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter regime with robust Hund's coupling, which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U , as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital- and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that the self-energy for the itinerant electrons is momentum dependent, indicating a degree of nonlocal correlations while the localized electrons have largely momentum independent self-energies. These nonlocal correlations also produce relative shifts of the holelike and electronlike bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally ordered insulating phase.

  17. Twisted Hubbard model for Sr2IrO4: magnetism and possible high temperature superconductivity.

    PubMed

    Wang, Fa; Senthil, T

    2011-04-01

    Sr(2)IrO(4) has been suggested as a Mott insulator from a single J(eff)=1/2 band, similar to the cuprates. However, this picture is complicated by the measured large magnetic anisotropy and ferromagnetism. Based on a careful mapping to the J(eff)=1/2 (pseudospin-1/2) space, we propose that the low energy electronic structure of Sr(2)IrO(4) can indeed be described by a SU(2) invariant pseudospin-1/2 Hubbard model very similar to that of the cuprates, but with a twisted coupling to an external magnetic field (a g tensor with a staggered antisymmetric component). This perspective naturally explains the magnetic properties of Sr(2)IrO(4). We also derive several simple facts based on this mapping and the known results about the Hubbard model and the cuprates, which may be tested in future experiments on Sr(2)IrO(4). In particular, we propose that (electron-)doping Sr(2)IrO(4) can potentially realize high-temperature superconductivity.

  18. Quantum Phase Transition and Local Entanglement in Extended Hubbard Model on Anisotropic Triangular Lattices

    NASA Astrophysics Data System (ADS)

    Gao, Ji-Ming; Tang, Rong-An; Zhang, Zheng-Mei; Xue, Ju-Kui

    2016-11-01

    Using a mean-field theory based upon Hartree—Fock approximation, we theoretically investigate the competition between the metallic conductivity, spin order and charge order phases in a two-dimensional half-filled extended Hubbard model on anisotropic triangular lattice. Bond order, double occupancy, spin and charge structure factor are calculated, and the phase diagram of the extended Hubbard model is presented. It is found that the interplay of strong interaction and geometric frustration leads to exotic phases, the charge fluctuation is enhanced and three kinds of charge orders appear with the introduction of the nearest-neighbor interaction. Moreover, for different frustrations, it is also found that the antiferromagnetic insulating phase and nonmagnetic insulating phase are rapidly suppressed, and eventually disappeared as the ratio between the nearest-neighbor interaction and on-site interaction increases. This indicates that spin order is also sensitive to the nearest-neighbor interaction. Finally, the single-site entanglement is calculated and it is found that a clear discontinuous of the single-site entanglement appears at the critical points of the phase transition. Supported by National Natural Science Foundation of China under Grant Nos.11274255, 11475027 and 11305132, Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant No. 20136203110001, and Technology of Northwest Normal University, China under Grants No. NWNU-LKQN-11-26

  19. Madelung and Hubbard interactions in polaron band model of doped organic semiconductors

    PubMed Central

    Png, Rui-Qi; Ang, Mervin C.Y.; Teo, Meng-How; Choo, Kim-Kian; Tang, Cindy Guanyu; Belaineh, Dagmawi; Chua, Lay-Lay; Ho, Peter K.H.

    2016-01-01

    The standard polaron band model of doped organic semiconductors predicts that density-of-states shift into the π–π* gap to give a partially filled polaron band that pins the Fermi level. This picture neglects both Madelung and Hubbard interactions. Here we show using ultrahigh workfunction hole-doped model triarylamine–fluorene copolymers that Hubbard interaction strongly splits the singly-occupied molecular orbital from its empty counterpart, while Madelung (Coulomb) interactions with counter-anions and other carriers markedly shift energies of the frontier orbitals. These interactions lower the singly-occupied molecular orbital band below the valence band edge and give rise to an empty low-lying counterpart band. The Fermi level, and hence workfunction, is determined by conjunction of the bottom edge of this empty band and the top edge of the valence band. Calculations are consistent with the observed Fermi-level downshift with counter-anion size and the observed dependence of workfunction on doping level in the strongly doped regime. PMID:27582355

  20. Hybrid-space density matrix renormalization group study of the doped two-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Ehlers, G.; White, S. R.; Noack, R. M.

    2017-03-01

    The performance of the density matrix renormalization group (DMRG) is strongly influenced by the choice of the local basis of the underlying physical lattice. We demonstrate that, for the two-dimensional Hubbard model, the hybrid-real-momentum-space formulation of the DMRG is computationally more efficient than the standard real-space formulation. In particular, we show that the computational cost for fixed bond dimension of the hybrid-space DMRG is approximately independent of the width of the lattice, in contrast to the real-space DMRG, for which it is proportional to the width squared. We apply the hybrid-space algorithm to calculate the ground state of the doped two-dimensional Hubbard model on cylinders of width four and six sites; at n =0.875 filling, the ground state exhibits a striped charge-density distribution with a wavelength of eight sites for both U /t =4.0 and 8.0 . We find that the strength of the charge ordering depends on U /t and on the boundary conditions. Furthermore, we investigate the magnetic ordering as well as the decay of the static spin, charge, and pair-field correlation functions.

  1. Flow transitions in a 2D directional solidification model

    NASA Technical Reports Server (NTRS)

    Larroude, Philippe; Ouazzani, Jalil; Alexander, J. Iwan D.

    1992-01-01

    Flow transitions in a Two Dimensional (2D) model of crystal growth were examined using the Bridgman-Stockbarger me thod. Using a pseudo-spectral Chebyshev collocation method, the governing equations yield solutions which exhibit a symmetry breaking flow tansition and oscillatory behavior indicative of a Hopf bifurcation at higher values of Ra. The results are discussed from fluid dynamic viewpoint, and broader implications for process models are also addressed.

  2. Numerical modelling of spallation in 2D hydrodynamics codes

    NASA Astrophysics Data System (ADS)

    Maw, J. R.; Giles, A. R.

    1996-05-01

    A model for spallation based on the void growth model of Johnson has been implemented in 2D Lagrangian and Eulerian hydrocodes. The model has been extended to treat complete separation of material when voids coalesce and to describe the effects of elevated temperatures and melting. The capabilities of the model are illustrated by comparison with data from explosively generated spall experiments. Particular emphasis is placed on the prediction of multiple spall effects in weak, low melting point, materials such as lead. The correlation between the model predictions and observations on the strain rate dependence of spall strength is discussed.

  3. Quantum phases of one-dimensional Hubbard models with three- and four-body couplings

    NASA Astrophysics Data System (ADS)

    Dolcini, Fabrizio; Montorsi, Arianna

    2013-09-01

    The experimental advances in cold atomic and molecular gases stimulate the investigation of lattice correlated systems beyond the conventional on-site Hubbard approximation, by possibly including multiparticle processes. We study fermionic extended Hubbard models in a one-dimensional lattice with different types of particle couplings, including also three- and four-body interactions up to nearest neighboring sites. By using the bosonization technique, we investigate the low-energy regime and determine the conditions for the appearance of ordered phases, for arbitrary particle filling. We find that three- and four-body couplings may significantly modify the phase diagram. In particular, diagonal three-body terms that directly couple the local particle densities have qualitatively different effects from off-diagonal three-body couplings originating from correlated hopping, and favor the appearance of a Luther-Emery phase even when two-body terms are repulsive. Furthermore, the four-body coupling gives rise to a rich phase diagram and may lead to the realization of the Haldane insulator phase at half-filling.

  4. Quench dynamics of the spin-imbalanced Fermi-Hubbard model in one dimension

    NASA Astrophysics Data System (ADS)

    Yin, Xiao; Radzihovsky, Leo

    2016-12-01

    We study a nonequilibrium dynamics of a one-dimensional spin-imbalanced Fermi-Hubbard model following a quantum quench of on-site interaction, realizable, for example, in Feshbach-resonant atomic Fermi gases. We focus on the post-quench evolution starting from the initial BCS and Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) ground states and analyze the corresponding spin-singlet, spin-triplet, density-density, and magnetization-magnetization correlation functions. We find that beyond a light-cone crossover time, rich post-quench dynamics leads to thermalized and pre-thermalized stationary states that display strong dependence on the initial ground state. For initially gapped BCS state, the long-time stationary state resembles thermalization with the effective temperature set by the initial value of the Hubbard interaction. In contrast, while the initial gapless FFLO state reaches a stationary pre-thermalized form, it remains far from equilibrium. We suggest that such post-quench dynamics can be used as a fingerprint for identification and study of the FFLO phase.

  5. Long-range orders and spin/orbital freezing in the two-band Hubbard model

    NASA Astrophysics Data System (ADS)

    Steiner, Karim; Hoshino, Shintaro; Nomura, Yusuke; Werner, Philipp

    2016-08-01

    We solve the orbitally degenerate two-band Hubbard model within dynamical mean field theory and map out the instabilities to various symmetry-broken phases based on an analysis of the corresponding lattice susceptibilities. Phase diagrams as a function of the Hund coupling parameter J are obtained both for the model with rotationally invariant interaction and for the model with Ising-type anisotropy. For negative J , an intraorbital spin-singlet superconducting phase appears at low temperatures, while the normal state properties are characterized by an orbital-freezing phenomenon. This is the negative-J analog of the recently discovered fluctuating-moment induced s -wave spin-triplet superconductivity in the spin-freezing regime of multiorbital models with J >0 .

  6. Variational Study on Loop Currents in Bose Hubbard model with Staggered Flux

    NASA Astrophysics Data System (ADS)

    Toga, Y.; Yokoyama, H.

    In view of strongly interacting bosons in an optical lattice with a large gauge field, we study phase transitions in a two-dimensional Bose-Hubbard model with a staggered flux, on the basis of variational Monte Carlo calculations. Inthe trial states,besides typical onsite and intersite correlation factors, we introduce a configuration-dependent phase factor,which was recently found essential for treating current-carrying states. It is found that this phase factor is qualitativelyvitalfordescribing a Mott insulating (MI) state in the present model. Thereby, the Peierls phasesattached in relevant hopping processes are cancelled out. As a result, local currents completely suppressed in MI states, namely, a chiral Mott state does not appear for the square lattice, in contrast tothecorresponding two-leg ladder model. In addition, we discuss other features of the first-order superfluid-MI transition in this model.

  7. NGMIX: Gaussian mixture models for 2D images

    NASA Astrophysics Data System (ADS)

    Sheldon, Erin

    2015-08-01

    NGMIX implements Gaussian mixture models for 2D images. Both the PSF profile and the galaxy are modeled using mixtures of Gaussians. Convolutions are thus performed analytically, resulting in fast model generation as compared to methods that perform the convolution in Fourier space. For the galaxy model, NGMIX supports exponential disks and de Vaucouleurs and Sérsic profiles; these are implemented approximately as a sum of Gaussians using the fits from Hogg & Lang (2013). Additionally, any number of Gaussians can be fit, either completely free or constrained to be cocentric and co-elliptical.

  8. Numerical 2D-modeling of multiroll leveling

    NASA Astrophysics Data System (ADS)

    Mathieu, N.; Potier-Ferry, M.; Zahrouni, H.

    2016-10-01

    Multiroll leveling is a forming process used in the metals industries (aluminum, steel, …) in order to correct flatness defects and minimize residual stresses in strips thanks to alternating bending. This work proposes a Finite Element 2D model to simulate the metal sheet conveying through the machine. Obtained results (plastic strain and residual stress distributions through thickness) are analysed. Strip deformation, after elastic springback and potential buckling, is also predicted (residual curvatures).

  9. Emulating the one-dimensional Fermi-Hubbard model by a double chain of qubits

    NASA Astrophysics Data System (ADS)

    Reiner, Jan-Michael; Marthaler, Michael; Braumüller, Jochen; Weides, Martin; Schön, Gerd

    2016-09-01

    The Jordan-Wigner transformation maps a one-dimensional (1D) spin-1 /2 system onto a fermionic model without spin degree of freedom. A double chain of quantum bits with X X and Z Z couplings of neighboring qubits along and between the chains, respectively, can be mapped on a spin-full 1D Fermi-Hubbard model. The qubit system can thus be used to emulate the quantum properties of this model. We analyze physical implementations of such analog quantum simulators, including one based on transmon qubits, where the Z Z interaction arises due to an inductive coupling and the X X interaction due to a capacitive interaction. We propose protocols to gain confidence in the results of the simulation through measurements of local operators.

  10. High-spin magnetic states in the two-orbital Hubbard model on a tetrahedron.

    PubMed

    Romano, Alfonso; Noce, Canio; Amendola, Maria Emilia

    2008-11-19

    We present a study of the two-orbital degenerate Hubbard model in which the exact numerical solution on a regular tetrahedron is obtained via suitable implementation of the symmetries generated by the spin, the pairing and the orbital pseudospin operators. In particular, we show that a large variety of high-spin magnetic ground states can develop away from half filling, depending on the values of the electron density and the parameters of the model. As the tetrahedron is the simplest finite-size cluster where hopping processes connect all pairs of sites with constant probability, the study is extended by providing the exact analytical solution of the model on an infinite lattice in the unconstrained hopping limit.

  11. Optimal Hubbard models for materials with nonlocal Coulomb interactions: graphene, silicene, and benzene.

    PubMed

    Schüler, M; Rösner, M; Wehling, T O; Lichtenstein, A I; Katsnelson, M I

    2013-07-19

    To understand how nonlocal Coulomb interactions affect the phase diagram of correlated electron materials, we report on a method to approximate a correlated lattice model with nonlocal interactions by an effective Hubbard model with on-site interactions U(*) only. The effective model is defined by the Peierls-Feynman-Bogoliubov variational principle. We find that the local part of the interaction U is reduced according to U(*)=U-V[over ¯], where V[over ¯] is a weighted average of nonlocal interactions. For graphene, silicene, and benzene we show that the nonlocal Coulomb interaction can decrease the effective local interaction by more than a factor of 2 in a wide doping range.

  12. Itinerant ferromagnetism in a Fermi gas with contact interaction: Magnetic properties in a dilute Hubbard model

    SciTech Connect

    Chang Chiachen; Zhang Shiwei; Ceperley, David M.

    2010-12-15

    Ground-state properties of the repulsive Hubbard model on a cubic lattice are investigated by means of the auxiliary-field quantum Monte Carlo method. We focus on low-density systems with varying on-site interaction U/t, as a model relevant to recent experiments on itinerant ferromagnetism in a dilute Fermi gas with contact interaction. Twist-average boundary conditions are used to eliminate open-shell effects and large lattice sizes are studied to reduce finite-size effects. The sign problem is controlled by a generalized constrained path approximation. We find no ferromagnetic phase transition in this model. The ground-state correlations are consistent with those of a paramagnetic Fermi liquid.

  13. From Nagaoka's Ferromagnetism to Flat-Band Ferromagnetism and Beyond --- An Introduction to Ferromagnetism in the Hubbard Model ---

    NASA Astrophysics Data System (ADS)

    Tasaki, H.

    1998-04-01

    It is believed that strong ferromagnetic interactions in some solids are generated by subtle interplay between quantum many-body effects and spin-independent Coulomb interactions between electrons. It is a challenging problem to verify this scenario in the Hubbard model, which is an idealized model for strongly interacting electrons in a solid. Nagaoka's ferromagnetism is a well-known rigorous example of ferromagnetism in the Hubbard model. It deals with the limiting situation in which there is one fewer electron than in the half-filling and the on-site Coulomb interaction is infinitely large. There are relatively new rigorous examples of ferromagnetism in Hubbard models called flat-band ferromagnetism. Flat-band ferromagnetism takes place in carefully prepared models in which the lowest bands (in the single-electron spectra) are ``flat.'' Usually, these two approaches are regarded as two complimentary routes to ferromagnetism in the Hubbard model. In the present paper we describe Nagaoka's ferromagnetism and flat-band ferromagnetism in detail, giving all the necessary background as well as complete (but elementary) mathematical proofs. By studying an intermediate model called the long-range hopping model, we also demonstrate that there is indeed a deep relation between these two seemingly different approaches to ferromagnetism. We further discuss some attempts to go beyond these approaches. We briefly discuss recent rigorous example of ferromagnetism in the Hubbard model which has neither infinitely large parameters nor completely flat bands. We give preliminary discussion regarding possible experimental realizations of the (nearly-)flat-band ferromagnetism. Finally, we focus on some theoretical attempts to understand metallic ferromagnetism. We discuss three artificial one-dimensional models in which the existence of metallic ferromagnetism can be easily proved. We have tried to make the present paper as self-contained as possible, keeping in mind readers who are

  14. Influence of Elevation Data Source on 2D Hydraulic Modelling

    NASA Astrophysics Data System (ADS)

    Bakuła, Krzysztof; StĘpnik, Mateusz; Kurczyński, Zdzisław

    2016-08-01

    The aim of this paper is to analyse the influence of the source of various elevation data on hydraulic modelling in open channels. In the research, digital terrain models from different datasets were evaluated and used in two-dimensional hydraulic models. The following aerial and satellite elevation data were used to create the representation of terrain-digital terrain model: airborne laser scanning, image matching, elevation data collected in the LPIS, EuroDEM, and ASTER GDEM. From the results of five 2D hydrodynamic models with different input elevation data, the maximum depth and flow velocity of water were derived and compared with the results of the most accurate ALS data. For such an analysis a statistical evaluation and differences between hydraulic modelling results were prepared. The presented research proved the importance of the quality of elevation data in hydraulic modelling and showed that only ALS and photogrammetric data can be the most reliable elevation data source in accurate 2D hydraulic modelling.

  15. The one-dimensional asymmetric Hubbard model at partial band filling

    NASA Astrophysics Data System (ADS)

    Silva-Valencia, J.; Franco, R.; Figueira, M. S.

    2007-09-01

    We study the one-dimensional asymmetric Hubbard model (AHM) through the White's density matrix renormalization group technique at the density n=0.8. The AHM describes a correlated system where the hopping of electrons depend on their spin. The spin structure factor and the charge structure factor of heavy electrons were calculated as a function of the hopping and the repulsive on-site interaction. We found that the ground state displays phase separation for strong coupling, and a non-universal critical hopping separates the states of density wave and the phase separation. This outcome generalizes the result found one in the Falicov-Kimball model, which is a particular case of the AHM.

  16. Mott lobes of the S =1 Bose-Hubbard model with three-body interactions

    NASA Astrophysics Data System (ADS)

    Hincapie-F, A. F.; Franco, R.; Silva-Valencia, J.

    2016-09-01

    Using the density-matrix renormalization-group method, we studied the ground state of the one-dimensional S =1 Bose-Hubbard model with local three-body interactions, which can be a superfluid or a Mott insulator state. We drew the phase diagram of this model for both ferromagnetic and antiferromagnetic interaction. Regardless of the sign of the spin-dependent coupling, we obtained that the Mott lobes area decreases as the spin-dependent strength increases, which means that the even-odd asymmetry of the two-body antiferromagnetic chain is absent for local three-body interactions. For antiferromagnetic coupling, we found that the density drives first-order superfluid-Mott insulator transitions for even and odd lobes. Ferromagnetic Mott insulator and superfluid states were obtained with a ferromagnetic coupling, and a tendency to a "long-range" order was observed.

  17. Magnetic Correlations and Pairing in the 1/5-Depleted Square Lattice Hubbard Model

    SciTech Connect

    Khatemi, Ehsan; Singh, Rajiv R. P.; Pickett, Warren E.; Scalettar, Richardq T.

    2014-09-04

    We study the single-orbital Hubbard model on the 1/5-depleted square-lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV4O9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Néel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d wave in the plaquette phase to extended s wave upon transition to the Néel phase. These findings have intriguing connections to iron-based superconductors, and suggest that some physics of multiorbital systems can be captured by a single-orbital model at different dopings.

  18. Competing Supersolid and Haldane Insulator Phases in the Extended One-Dimensional Bosonic Hubbard Model

    NASA Astrophysics Data System (ADS)

    Batrouni, G. G.; Scalettar, R. T.; Rousseau, V. G.; Grémaud, B.

    2013-06-01

    The Haldane insulator is a gapped phase characterized by an exotic nonlocal order parameter. The parameter regimes at which it might exist, and how it competes with alternate types of order, such as supersolid order, are still incompletely understood. Using the stochastic Green function quantum Monte Carlo algorithm and density matrix renormalization group, we study numerically the ground state phase diagram of the one-dimensional bosonic Hubbard model with contact and near neighbor repulsive interactions. We show that, depending on the ratio of the near neighbor to contact interactions, this model exhibits charge density waves, superfluid, supersolid, and the recently identified Haldane insulating phases. We show that the Haldane insulating phase exists only at the tip of the unit-filling charge density wave lobe and that there is a stable supersolid phase over a very wide range of parameters.

  19. Orbital nematic instability in the two-orbital Hubbard model: renormalization-group + constrained RPA analysis.

    PubMed

    Tsuchiizu, Masahisa; Ohno, Yusuke; Onari, Seiichiro; Kontani, Hiroshi

    2013-08-02

    Motivated by the nematic electronic fluid phase in Sr(3)Ru(2)O(7), we develop a combined scheme of the renormalization-group method and the random-phase-approximation-type method, and analyze orbital susceptibilities of the (d(xz), d(yz))-orbital Hubbard model with high accuracy. It is confirmed that the present model exhibits a ferro-orbital instability near the magnetic or superconducting quantum criticality, due to the Aslamazov-Larkin-type vertex corrections. This mechanism of orbital nematic order presents a natural explanation for the nematic order in Sr(3)Ru(2)O(7), and is expected to be realized in various multiorbital systems, such as Fe-based superconductors.

  20. Effective doublon and hole temperatures in the photo-doped dynamic Hubbard model

    PubMed Central

    Werner, Philipp; Eckstein, Martin

    2015-01-01

    Hirsch's dynamic Hubbard model describes the effect of orbital expansion with occupancy by coupling the doublon operator to an auxiliary boson. In the Mott insulating phase, empty sites (holes) and doubly occupied orbitals (doublons) become charge carriers on top of the half-filled background. We use the nonequilibrium dynamical mean field method to study the properties of photo-doped doublons and holes in this model in the strongly correlated regime. In particular, we discuss how photodoping leads to doublon and hole populations with different effective temperatures, and we analyze the relaxation behavior as a function of the boson coupling and boson energy. In the polaronic regime, the nontrivial energy exchange between doublons, holes, and bosons can result in a negative temperature distribution for the holes. PMID:26798834

  1. Thermodynamics of the Hubbard model on stacked honeycomb and square lattices

    NASA Astrophysics Data System (ADS)

    Imriška, Jakub; Gull, Emanuel; Troyer, Matthias

    2016-07-01

    We present a numerical study of the Hubbard model on simply stacked honeycomb and square lattices, motivated by a recent experimental realization of such models with ultracold atoms in optical lattices. We perform simulations with different interlayer coupling and interaction strengths and obtain Néel transition temperatures and entropies. We provide data for the equation of state to enable comparisons of experiments and theory. We find an enhancement of the short-range correlations in the anisotropic lattices compared to the isotropic cubic lattice, in parameter regimes suitable for the interaction driven adiabatic cooling. Supplementary material in the form of one zip file available from the Jounal web page at http://dx.doi.org/10.1140/epjb/e2016-70146-y

  2. Ferromagnetism in multiband Hubbard models: From weak to strong Coulomb repulsion

    SciTech Connect

    Penc, K.; Shiba, H.; Mila, F.; Tsukagoshi, T.

    1996-08-01

    We propose a mechanism which can lead to ferromagnetism in Hubbard models containing triangles with different on-site energies. It is based on an effective Hamiltonian that we derive in the strong coupling limit. Considering a one-dimensional realization of the model, we show that in the quarter-filled, insulating case the ground state is actually ferromagnetic in a very large parameter range going from Tasaki{close_quote}s flatband limit to the strong coupling limit of the effective Hamiltonian. This result has been obtained using a variety of analytical and numerical techniques. Finally, the same results are shown to apply away from quarter-filling, in the metallic case. {copyright} {ital 1996 The American Physical Society.}

  3. Entanglement spectrum of the two-dimensional Bose-Hubbard model.

    PubMed

    Alba, Vincenzo; Haque, Masudul; Läuchli, Andreas M

    2013-06-28

    We study the entanglement spectrum (ES) of the Bose-Hubbard model on the two-dimensional square lattice at unit filling, both in the Mott insulating and in the superfluid phase. In the Mott phase, we demonstrate that the ES is dominated by the physics at the boundary between the two subsystems. On top of the boundary-local (perturbative) structure, the ES exhibits substructures arising from one-dimensional dispersions along the boundary. In the superfluid phase, the structure of the ES is qualitatively different, and reflects the spontaneously broken U(1) symmetry of the phase. We attribute the basic low-lying structure to the "tower of states" Hamiltonian of the model. We then discuss how these characteristic structures evolve across the superfluid to Mott insulator transition and their influence on the behavior of the entanglement entropies. We briefly outline the implications of the ES structure on the efficiency of matrix-product-state based algorithms in two dimensions.

  4. Negative differential conductivity and quantum statistical effects in a three-site Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Olsen, M. K.; Corney, J. F.

    2016-09-01

    The use of an electron beam to remove ultracold atoms from selected sites in an optical lattice has opened up new opportunities to study transport in quantum systems [R. Labouvie et al., Phys. Rev. Lett. 115, 050601 (2015), 10.1103/PhysRevLett.115.050601]. Inspired by this experimental result, we examine the effects of number difference, dephasing, and initial quantum statistics on the filling of an initially depleted middle well in the three-well inline Bose-Hubbard model. We find that the well-known phenomenon of macroscopic self-trapping is the main contributor to oscillatory negative differential conductivity in our model, with phase diffusion being a secondary effect. However, we find that phase diffusion is required for the production of direct atomic current, with the coherent process showing damped oscillatory currents. We also find that our results are highly dependent on the initial quantum states of the atoms in the system.

  5. Out of equilibrium spatio-temporal correlations in the Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Kennett, Malcolm; Fitzpatrick, Matthew

    2016-05-01

    The Bose-Hubbard model (BHM) provides a model system to study quench dynamics across a quantum phase transition. Theoretically, it has proven challenging to study spatio-temporal correlations in the BHM in dimensions higher than one. We use the Schwinger-Keldysh technique and a strong-coupling expansion to develop a two-particle irreducible formalism to allow us to study spatio-temporal correlations in both the superfluid (SF) and Mott-insulating (MI) regimes during a quantum quench for dimensions higher than one. We obtain equations of motion for both the superfluid order parameter and two-point correlation functions and present numerical results for the evolution of two-time correlation functions. We relate our results to experiments on cold atoms in optical lattices. Supported by NSERC.

  6. Magnetic Correlations and Pairing in the 1/5-Depleted Square Lattice Hubbard Model

    DOE PAGES

    Khatemi, Ehsan; Singh, Rajiv R. P.; Pickett, Warren E.; ...

    2014-09-04

    We study the single-orbital Hubbard model on the 1/5-depleted square-lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV4O9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Néel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d wave in the plaquette phase to extended s wave upon transition to the Néel phase.more » These findings have intriguing connections to iron-based superconductors, and suggest that some physics of multiorbital systems can be captured by a single-orbital model at different dopings.« less

  7. Nonequilibrium dynamics of the Bose-Hubbard model: a projection-operator approach.

    PubMed

    Trefzger, C; Sengupta, K

    2011-03-04

    We study the phase diagram and nonequilibrium dynamics involving ramp of the hopping amplitude J(t)=Jt/τ with ramp time τ of the Bose-Hubbard model at zero temperature using a projection-operator formalism which allows us to incorporate the effects of quantum fluctuations beyond mean-field approximations in the strong-coupling regime. Our formalism yields a phase diagram which provides a near exact match with quantum Monte Carlo results in three dimensions. We also compute the residual energy Q, the superfluid order parameter Δ(t), the equal-time order parameter correlation function C(t), and the wave function overlap F which yields the defect formation probability P during nonequilibrium dynamics of the model. We find that Q, F, and P do not exhibit the expected universal scaling. We explain this absence of universality and show that our results compare well with recent experiments.

  8. Orientational bond and Néel order in the two-dimensional ionic Hubbard model

    NASA Astrophysics Data System (ADS)

    Hafez-Torbati, Mohsen; Uhrig, Götz S.

    2016-05-01

    Unconventional phases often occur where two competing mechanisms compensate. An excellent example is the ionic Hubbard model where the alternating local potential δ , favoring a band insulator (BI), competes with the local repulsion U , favoring a Mott insulator (MI). By continuous unitary transformations we derive effective models in which we study the softening of various excitons. The softening signals the instability towards new phases that we describe on the mean-field level. On increasing U from the BI in two dimensions, we find a bond-ordered phase breaking orientational symmetry due to a d -wave component. Then, antiferromagnetic order appears coexisting with the d -wave bond order. Finally, the d -wave order vanishes and a Néel-type MI persists.

  9. Fracture surfaces of heterogeneous materials: A 2D solvable model

    NASA Astrophysics Data System (ADS)

    Katzav, E.; Adda-Bedia, M.; Derrida, B.

    2007-05-01

    Using an elastostatic description of crack growth based on the Griffith criterion and the principle of local symmetry, we present a stochastic model describing the propagation of a crack tip in a 2D heterogeneous brittle material. The model ensures the stability of straight cracks and allows for the study of the roughening of fracture surfaces. When neglecting the effect of the nonsingular stress, the problem becomes exactly solvable and yields analytic predictions for the power spectrum of the paths. This result suggests an alternative to the conventional power law analysis often used in the analysis of experimental data.

  10. Extended dynamical mean-field study of the Hubbard model with long-range interactions

    NASA Astrophysics Data System (ADS)

    Huang, Li; Ayral, Thomas; Biermann, Silke; Werner, Philipp

    2014-11-01

    Using extended dynamical mean-field theory and its combination with the G W approximation, we compute the phase diagrams and local spectral functions of the single-band extended Hubbard model on the square and simple cubic lattices, considering long-range interactions up to the third nearest neighbors. The longer-range interactions shift the boundaries between the metallic, charge-ordered insulating, and Mott insulating phases, and lead to characteristic changes in the screening modes and local spectral functions. Momentum-dependent self-energy contributions enhance the correlation effects and thus compete with the additional screening effect from longer-range Coulomb interactions. Our results suggest that the influence of longer-range intersite interactions is significant, and that these effects deserve attention in realistic studies of correlated materials.

  11. Search for superconductivity in the two-dimensional Hubbard model using the Constrained Path Monte Carlo

    NASA Astrophysics Data System (ADS)

    Guerrero, M.; Ortiz, G.; Gubernatis, J. E.

    2000-05-01

    The search for a superconducting state in the two-dimensional one-band Hubbard model (HM) has been intense in the last few years. Monte Carlo methods, haunted by the infamous fermion sign problem, have been unable to study large enough systems and low enough temperatures. The Constrained Path Monte Carlo method (CPMC) evades the sign problem by introducing an approximate constraining state. We introduce a new formulation of the CPMC that allows the implementation of a whole family of generalized mean-field states as constraint, and calculate superconducting pairing correlation functions in the HM for lattices up to 12×12. We compare the results obtained using a BCS and a free-electron constraining wave-function. We find that the d-wave correlations are insensitive to the constraining state used.

  12. Competing phases, phase separation, and coexistence in the extended one-dimensional bosonic Hubbard model

    SciTech Connect

    Batrouni, G. G.; Rousseau, V. G.; Scalettar, R. T.; Grémaud, B.

    2014-11-17

    Here, we study the phase diagram of the one-dimensional bosonic Hubbard model with contact (U) and near neighbor (V ) interactions focusing on the gapped Haldane insulating (HI) phase which is characterized by an exotic nonlocal order parameter. The parameter regime (U, V and μ) where this phase exists and how it competes with other phases such as the supersolid (SS) phase, is incompletely understood. We use the Stochastic Green Function quantum Monte Carlo algorithm as well as the density matrix renormalization group to map out the phase diagram. The HI exists only at = 1, the SS phase exists for a very wide range of parameters (including commensurate fillings) and displays power law decay in the one body Green function were our main conclusions. Additionally, we show that at fixed integer density, the system exhibits phase separation in the (U, V ) plane.

  13. Spin waves in the fcc lattice antiferromagnet: competing interactions, frustration, and instabilities in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Singh, Avinash; Mohapatra, Shubhajyoti; Ziman, Timothy; Chatterji, Tapan

    2017-02-01

    Spin waves in the type-III ordered antiferromagnetic state of the frustrated t- t ' Hubbard model on the face-centred-cubic (fcc) lattice are calculated to investigate finite-U-induced competing interaction and frustration effects on magnetic excitations and instabilities. Particularly strong competing interactions generated due to the interplay of fcc lattice geometry and magnetic order result in significant spin wave softening. The calculated spin wave dispersion is found to be in qualitative agreement with the measured spin wave dispersion in the pyrite mineral MnS2 obtained from inelastic neutron scattering experiments. Instabilities to other magnetic orders (type I, type II, spiral, non-collinear), as signalled by spin wave energies turning negative, are also discussed.

  14. Origami rules for the construction of localized eigenstates of the Hubbard model in decorated lattices

    NASA Astrophysics Data System (ADS)

    Dias, R. G.; Gouveia, J. D.

    2015-11-01

    We present a method of construction of exact localized many-body eigenstates of the Hubbard model in decorated lattices, both for U = 0 and U → ∞. These states are localized in what concerns both hole and particle movement. The starting point of the method is the construction of a plaquette or a set of plaquettes with a higher symmetry than that of the whole lattice. Using a simple set of rules, the tight-binding localized state in such a plaquette can be divided, folded and unfolded to new plaquette geometries. This set of rules is also valid for the construction of a localized state for one hole in the U → ∞ limit of the same plaquette, assuming a spin configuration which is a uniform linear combination of all possible permutations of the set of spins in the plaquette.

  15. Phase diagram of a disordered boson Hubbard model in two dimensions.

    PubMed

    Lee, J W; Cha, M C; Kim, D

    2001-12-10

    We study the zero-temperature phase transition of a two-dimensional disordered boson Hubbard model. The phase diagram is constructed in terms of the disorder strength and the chemical potential. Via Monte Carlo simulations, we find a multicritical line separating the weak-disorder regime, where the Mott-insulator-to-superfluid transition occurs, from the strong-disorder regime, where the Bose-glass-to-superfluid transition occurs. On the multicritical line, the insulator-to-superfluid transition has the dynamical critical exponent z = 1.35+/-0.05 and the correlation length critical exponent nu = 0.67+/-0.03. We suggest that the proliferation of the particle-hole pairs screens out the weak-disorder effects.

  16. Sweeping from the superfluid to the Mott phase in the Bose-Hubbard model.

    PubMed

    Schützhold, Ralf; Uhlmann, Michael; Xu, Yan; Fischer, Uwe R

    2006-11-17

    We study the sweep through the quantum phase transition from the superfluid to the Mott state for the Bose-Hubbard model with a time-dependent tunneling rate J(t). In the experimentally relevant case of exponential decay J(t) proportional variant e -gamma t, an adapted mean-field expansion for large fillings n yields a scaling solution for the fluctuations. This enables us to analytically calculate the evolution of the number and phase variations (on-site) and correlations (off-site) for slow (gammamu) sweeps, where mu is the chemical potential. Finally, we derive the dynamical decay of the off-diagonal long-range order as well as the temporal shrinkage of the superfluid fraction in a persistent ring-current setup.

  17. Bose-Hubbard models with synthetic spin-orbit coupling: Mott insulators, spin textures, and superfluidity.

    PubMed

    Cole, William S; Zhang, Shizhong; Paramekanti, Arun; Trivedi, Nandini

    2012-08-24

    Motivated by the experimental realization of synthetic spin-orbit coupling for ultracold atoms, we investigate the phase diagram of the Bose-Hubbard model in a non-Abelian gauge field in two dimensions. Using a strong coupling expansion in the combined presence of spin-orbit coupling and tunable interactions, we find a variety of interesting magnetic Hamiltonians in the Mott insulator (MI), which support magnetic textures such as spin spirals and vortex and Skyrmion crystals. An inhomogeneous mean-field treatment shows that the superfluid (SF) phases inherit these exotic magnetic orders from the MI and display, in addition, unusual modulated current patterns. We present a slave-boson theory which gives insight into such intertwined spin-charge orders in the SF, and discuss signatures of these orders in Bragg scattering, in situ microscopy, and dynamic quench experiments.

  18. Quarter-filled supersolid and solid phases in the extended Bose-Hubbard model.

    PubMed

    Ng, Kwai-Kong; Chen, Y C; Tzeng, Y C

    2010-05-12

    We numerically study the ground state phase diagram of the two-dimensional hard-core Bose-Hubbard model with nearest-(V(1)) and next-nearest-neighbour (V(2)) repulsions. In particular, we focus on the quarter-filled phases where one supersolid and two solid phases are observed. Using both canonical and grand canonical quantum Monte Carlo (QMC) methods and a mean-field calculation, we provide evidence for the existence of a commensurate supersolid. Despite the two possible diagonal long-range orderings for the solid phase, only one kind of supersolid phase is found to be energetically stable. The competition between the two solid phases manifests itself as a first-order phase transition around 2V(2) ∼ V(1). The change of order parameters as a function of the chemical potential is also presented.

  19. Equivalent spin-orbit interaction in the two-polariton Jaynes-Cummings-Hubbard model

    PubMed Central

    Li, C.; Zhang, X. Z.; Song, Z.

    2015-01-01

    A cavity quantum electrodynamics (cavity-QED) system combines two or more distinct quantum components, exhibiting features not seen in the individual systems. In this work, we study the one-dimensional Jaynes-Cummings-Hubbard model in the two-excitation (two-polariton) subspace. We find that the centre momentum of two-excitation induces a magnetic flux piercing the equivalent Hamiltonian Hk in the invariant subspace with momentum k, which can be described as a 4-leg ladder in the auxiliary space. Furthermore, it is shown that the system in π-centre-momentum subspace is equivalent to a lattice system for spin-1 particle with spin-orbit coupling. On the basis of this concise description, a series of bound-pair eigenstates which display long-range polaritonic entanglement is presented as a simple application. PMID:26159665

  20. Floquet-Bloch operator for the Bose-Hubbard model with static field.

    PubMed

    Kolovsky, Andrey R; Buchleitner, Andreas

    2003-11-01

    This paper deals with the spectral properties of the one-dimensional Bose-Hubbard Hamiltonian amended by an external static field-a model for cold spinless atoms loaded in a quasi-one-dimensional optical lattice and subject to an additional static (for example, gravitational) force. The analysis is performed in terms of the Floquet-Bloch operator, defined as the evolution operator of the system over one Bloch period. Depending on the particular choice of parameters, the spectrum is found to be either regular or chaotic. Moreover, in the chaotic case, the matrix of the Floquet-Bloch operator is well characterized as a random matrix of the circular orthogonal ensemble.

  1. Twisted superfluid phase in the extended one-dimensional Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Lühmann, Dirk-Sören

    2016-07-01

    In one-dimensional systems a twisted superfluid phase is found which is induced by a spontaneous breaking of the time-reversal symmetry. Using the density-matrix renormalization group allows us to show that the excitation energy gap closes exponentially causing a quasidegenerate ground state. The two degenerate ground states are connected by the time-reversal symmetry which manifests itself in an alternating complex phase of the long-range correlation function. The quantum phase transition to the twisted superfluid is driven by pair tunneling processes in an extended Bose-Hubbard model. The phase boundaries of several other phases are discussed including a supersolid, a pair superfluid, and a pair supersolid phase as well as a highly unconventional Mott insulator with a degenerate ground state and a staggered pair correlation function.

  2. Phase transitions in a Bose-Hubbard model with cavity-mediated global-range interactions

    NASA Astrophysics Data System (ADS)

    Dogra, N.; Brennecke, F.; Huber, S. D.; Donner, T.

    2016-08-01

    We study a system with competing short- and global-range interactions in the framework of the Bose-Hubbard model. Using a mean-field approximation we obtain the phase diagram of the system and observe four different phases: a superfluid, a supersolid, a Mott insulator, and a charge-density wave, where the transitions between the various phases can be either of first or second order. We qualitatively support these results using Monte Carlo simulations. An analysis of the low-energy excitations shows that the second-order phase transition from the charge-density wave to the supersolid is associated with the softening of particle- and holelike excitations which give rise to a gapless mode and an amplitude Higgs mode in the supersolid phase. This amplitude Higgs mode is further transformed into a roton mode which softens at the supersolid to superfluid phase transition.

  3. Competing phases, phase separation, and coexistence in the extended one-dimensional bosonic Hubbard model

    DOE PAGES

    Batrouni, G. G.; Rousseau, V. G.; Scalettar, R. T.; ...

    2014-11-17

    Here, we study the phase diagram of the one-dimensional bosonic Hubbard model with contact (U) and near neighbor (V ) interactions focusing on the gapped Haldane insulating (HI) phase which is characterized by an exotic nonlocal order parameter. The parameter regime (U, V and μ) where this phase exists and how it competes with other phases such as the supersolid (SS) phase, is incompletely understood. We use the Stochastic Green Function quantum Monte Carlo algorithm as well as the density matrix renormalization group to map out the phase diagram. The HI exists only at = 1, the SS phase existsmore » for a very wide range of parameters (including commensurate fillings) and displays power law decay in the one body Green function were our main conclusions. Additionally, we show that at fixed integer density, the system exhibits phase separation in the (U, V ) plane.« less

  4. Phase diagram and topological phases in the triangular lattice Kitaev-Hubbard model

    NASA Astrophysics Data System (ADS)

    Li, Kai; Yu, Shun-Li; Gu, Zhao-Long; Li, Jian-Xin

    2016-09-01

    We study the half-filled Hubbard model on a triangular lattice with spin-dependent Kitaev-like hopping. Using the variational cluster approach, we identify five phases: a metallic phase, a non-coplanar chiral magnetic order, a 120° magnetic order, a nonmagnetic insulator (NMI), and an interacting Chern insulator (CI) with a nonzero Chern number. The transition from CI to NMI is characterized by the change of the charge gap from an indirect band gap to a direct Mott gap. Based on the slave-rotor mean-field theory, the NMI phase is further suggested to be a gapless Mott insulator with a spinon Fermi surface or a fractionalized CI with nontrivial spinon topology, depending on the strength of the Kitaev-like hopping. Our work highlights the rising field in which interesting phases emerge from the interplay between band topology and Mott physics.

  5. Long-lived nonequilibrium states in the Hubbard model with an electric field

    NASA Astrophysics Data System (ADS)

    Joura, Alexander V.; Freericks, J. K.; Lichtenstein, Alexander I.

    2015-06-01

    We study the single-band Hubbard model in the presence of a large spatially uniform electric field out of equilibrium. Using the Keldysh nonequilibrium formalism, we solve the problem using perturbation theory in the Coulomb interaction U . We present numerical results for the charge current, the total energy of the system, and the double occupancy on an infinite-dimensional hypercubic lattice with nearest-neighbor hopping. The system is isolated from an external bath and is in the paramagnetic state. We show that an electric field pulse can drive the system to a steady nonequilibrium state, which does not evolve into a thermal state. We compare results obtained within second-order perturbation theory (SOPT), self-consistent SOPT, and iterated perturbation theory (IPT). We also discuss the importance of initial conditions for a system which is not coupled to an external bath.

  6. Exact exchange-correlation potential of an ionic Hubbard model with a free surface

    PubMed Central

    Brosco, V.; Ying, Z.-J.; Lorenzana, J.

    2013-01-01

    In Kohn-Sham density functional theory (DFT) the interacting electron problem is mapped into a noninteracting problem in an effective potential vKS. It is known that the charge gap of the interacting system is different from the gap of the effective problem due to a jump Δxc in vKS when an electron is added but its magnitude and its role in the ubiquitous discrepancy between the experimental gaps and approximate DFT computations is poorly understood. Here we compute the exact vKS of a strongly interacting one-dimensional lattice model which can be driven from an ionic to a Mott insulating state. Presence of a “vacuum” region allows to determine the absolute value of vKS. We show that in the ionic regime Δxc is determined by nearest-neighbor interaction, while in the Mott regime Δxc is determined by on-site Hubbard interaction. PMID:23838813

  7. Origami rules for the construction of localized eigenstates of the Hubbard model in decorated lattices

    PubMed Central

    Dias, R. G.; Gouveia, J. D.

    2015-01-01

    We present a method of construction of exact localized many-body eigenstates of the Hubbard model in decorated lattices, both for U = 0 and U → ∞. These states are localized in what concerns both hole and particle movement. The starting point of the method is the construction of a plaquette or a set of plaquettes with a higher symmetry than that of the whole lattice. Using a simple set of rules, the tight-binding localized state in such a plaquette can be divided, folded and unfolded to new plaquette geometries. This set of rules is also valid for the construction of a localized state for one hole in the U → ∞ limit of the same plaquette, assuming a spin configuration which is a uniform linear combination of all possible permutations of the set of spins in the plaquette. PMID:26581296

  8. Topological phase transitions and universality in the Haldane-Hubbard model

    NASA Astrophysics Data System (ADS)

    Giuliani, Alessandro; Jauslin, Ian; Mastropietro, Vieri; Porta, Marcello

    2016-11-01

    We study the Haldane-Hubbard model by exact renormalization group techniques. We analytically construct the topological phase diagram, for weak interactions. We predict that many-body interactions induce a shift of the transition line: in particular, repulsive interactions enlarge the topologically nontrivial region. The presence of new intermediate phases, absent in the noninteracting case, is rigorously excluded at weak coupling. Despite the nontrivial renormalization of the wave function and of the Fermi velocity, the conductivity is universal: at the renormalized critical line, both the discontinuity of the transverse conductivity and the longitudinal conductivity are independent of the interaction, thanks to remarkable cancellations due to lattice Ward identities. In contrast to the quantization of the transverse conductivity, the universality of the longitudinal conductivity cannot be explained via topological arguments.

  9. Thermodynamic properties and thermal correlation lengths of a Hubbard model with bond-charge interaction

    NASA Astrophysics Data System (ADS)

    Kemper, Andreas; Schadschneider, Andreas

    2003-12-01

    We investigate the thermodynamics of a one-dimensional Hubbard model with bond-charge interaction X using the transfer-matrix renormalization-group method. Numerical results for various quantities such as spin and charge susceptibilities, particle densities, specific heat, and thermal correlation lengths are presented and discussed. We compare our data also to results for the exactly solvable case X/t=1 as well as to bosonization results for weak coupling X/t≪1, which shows excellent agreement. We confirm the existence of a Tomonaga-Luttinger and a Luther-Emery liquid phase, in agreement with previous studies at zero temperature. Thermal singlet-pair-correlation lengths are shown to dominate density and spin correlations for finite temperatures in certain parameter regimes.

  10. Excitation spectra and spin gap of the half-filled Holstein-Hubbard model

    NASA Astrophysics Data System (ADS)

    Hohenadler, Martin; Assaad, Fakher F.

    2013-02-01

    Single- and two-particle excitation spectra of the one-dimensional, half-filled Holstein-Hubbard model are calculated using the continuous-time quantum Monte Carlo method. In the metallic phase, the results are consistent with a Luther-Emery liquid that has gapped spin and single-particle excitations but a gapless charge mode. However, given the initially exponential dependence of the spin gap on the backscattering matrix element, the numerical excitation spectra appear gapless in the weak-coupling regime, and therefore resemble those of a Luttinger liquid. The Mott phase has the expected charge gap and gapless spin excitations. The Peierls state shows a charge, spin, and single-particle gap, a soft phonon mode, backfolded shadow bands, and soliton excitations. Arguments and numerical evidence for the existence of a nonzero spin gap throughout the metallic phase are provided in terms of equal-time spin and charge correlation functions.

  11. Bose-Hubbard model: Relation between driven-dissipative steady states and equilibrium quantum phases

    NASA Astrophysics Data System (ADS)

    Le Boité, Alexandre; Orso, Giuliano; Ciuti, Cristiano

    2014-12-01

    We present analytical solutions for the mean-field master equation of the driven-dissipative Bose-Hubbard model for cavity photons, in the limit of both weak pumping and weak dissipation. Instead of pure Mott-insulator states, we find statistical mixtures with the same second-order coherence g(2 )(0 ) as a Fock state with n photons, but a mean photon number of n /2 . These mixed states occur when n pump photons have the same energy as n interacting photons inside the nonlinear cavity and survive up to a critical tunneling coupling strength, above which a crossover to a classical coherent state takes place. We also explain the origin of both antibunching and superbunching predicted by P-representation mean-field theory at higher pumping and dissipation. In particular, we show that the strongly correlated region of the associated phase diagram cannot be described within the semiclassical Gross-Pitaevskii approach.

  12. Orbital selective directional conductor in the two-orbital Hubbard model

    SciTech Connect

    Mukherjee, Anamitra; Patel, Niravkumar D.; Moreo, Adriana; Dagotto, Elbio

    2016-02-29

    Recently, we employed a developed many-body technique that allows for the incorporation of thermal effects, the rich phase diagram of a two-dimensional two-orbital (degenerate dxz and dyz) Hubbard model is presented varying temperature and the repulsion U. The main result is the finding at intermediate U of an antiferromagnetic orbital selective state where an effective dimensional reduction renders one direction insulating and the other metallic. Possible realizations of this state are discussed. Additionally, we also study nematicity above the N eel temperature. After a careful finite-size scaling analysis, the nematicity temperature window appears to survive in the bulk limit, although it is very narrow.

  13. Orbital selective directional conductor in the two-orbital Hubbard model

    DOE PAGES

    Mukherjee, Anamitra; Patel, Niravkumar D.; Moreo, Adriana; ...

    2016-02-29

    Recently, we employed a developed many-body technique that allows for the incorporation of thermal effects, the rich phase diagram of a two-dimensional two-orbital (degenerate dxz and dyz) Hubbard model is presented varying temperature and the repulsion U. The main result is the finding at intermediate U of an antiferromagnetic orbital selective state where an effective dimensional reduction renders one direction insulating and the other metallic. Possible realizations of this state are discussed. Additionally, we also study nematicity above the N eel temperature. After a careful finite-size scaling analysis, the nematicity temperature window appears to survive in the bulk limit, althoughmore » it is very narrow.« less

  14. Dimensional-crossover-driven Mott transition in the frustrated Hubbard model.

    PubMed

    Raczkowski, Marcin; Assaad, Fakher F

    2012-09-21

    We study the Mott transition in a frustrated Hubbard model with next-nearest neighbor hopping at half-filling. The interplay between interaction, dimensionality, and geometric frustration closes the one-dimensional Mott gap and gives rise to a metallic phase with Fermi surface pockets. We argue that they emerge as a consequence of remnant one-dimensional umklapp scattering at the momenta with vanishing interchain hopping matrix elements. In this pseudogap phase, enhanced d-wave pairing correlations are driven by antiferromagnetic fluctuations. Within the adopted cluster dynamical mean-field theory on the 8 × 2 cluster and down to our lowest temperatures, the transition from one to two dimensions is continuous.

  15. Cluster perturbation theory in Hubbard model exactly taking into account the short-range magnetic order in 2 x 2 cluster

    SciTech Connect

    Nikolaev, S. V. Ovchinnikov, S. G.

    2010-10-15

    The cluster perturbation theory is presented in the 2D Hubbard model constructed using X operators in the Hubbard-I approximation. The short-range magnetic order is taken into account by dividing the entire lattice into individual 2 x 2 clusters and solving the eigenvalue problem in an individual cluster using exact diagonalization taking into account all excited levels. The case of half-filling taking into account jumps between nearest neighbors is considered. As a result of numerical solution, a shadow zone is discovered in the quasiparticle spectrum. It is also found that a gap in the density of states in the quasiparticle spectrum at zero temperature exists for indefinitely small values of Coulomb repulsion parameter U and increases with this parameter. It is found that the presence of this gap in the spectrum is due to the formation of a short-range antiferromagnetic order. An analysis of the temperature evolution of the density of states shows that the metal-insulator transition occurs continuously. The existence of two characteristic energy scales at finite temperatures is demonstrated, the larger scale is associated with the formation of a pseudogap in the vicinity of the Fermi level, and the smaller scale is associated with the metal-insulator transition temperature. A peak in the density of states at the Fermi level, which is predicted in the dynamic mean field theory in the vicinity of the metal-insulator transition, is not observed.

  16. 2D Quantum Transport Modeling in Nanoscale MOSFETs

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, B.

    2001-01-01

    We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on an equal footing. Electron bandstructure is treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are consistent with 1D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller leakage current than the longer gate length device without a significant trade-off in on-current.

  17. Filling-dependent doublon dynamics in the one-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Rausch, Roman; Potthoff, Michael

    2017-01-01

    The fate of a local two-hole doublon excitation in the one-dimensional Fermi-Hubbard model is systematically studied for strong Hubbard interaction U in the entire filling range using the density-matrix renormalization group (DMRG) and the Bethe ansatz. For strong U , two holes at the same site form a compound object whose decay is impeded by the lack of phase space. Still, a partial decay is possible on an extremely short time scale where phase-space arguments do not yet apply. We argue that the initial decay and the resulting intermediate state are relevant for experiments performed with ultracold atoms loaded into an optical lattice as well as for (time-resolved) CVV Auger-electron spectroscopy. The detailed discussion comprises the mixed ballistic-diffusive real-time propagation of the doublon through the lattice, its partial decay on the short time scale as a function of filling and interaction strength, as well as the analysis of the decay products, which are metastable on the intermediate time scale that is numerically accessible and which show up in the two-hole excitation (Auger) spectrum. The ambivalent role of singly occupied sites is key to understanding the doublon physics; for high fillings, ground-state configurations with single occupancies are recognized to strongly relax the kinematic constraints and to open up decay channels. For fillings close to half-filling, however, their presence actually blocks the doublon decay. Finally, the analysis of the continua in the two-hole spectrum excludes a picture where the doublon decays into unbound electron holes for generic fillings, different from the limiting case of the completely filled band. We demonstrate that the decay products as well as the doublon propagation should rather be understood in terms of Bethe ansatz eigenstates.

  18. Model dielectric function for 2D semiconductors including substrate screening

    PubMed Central

    Trolle, Mads L.; Pedersen, Thomas G.; Véniard, Valerie

    2017-01-01

    Dielectric screening of excitons in 2D semiconductors is known to be a highly non-local effect, which in reciprocal space translates to a strong dependence on momentum transfer q. We present an analytical model dielectric function, including the full non-linear q-dependency, which may be used as an alternative to more numerically taxing ab initio screening functions. By verifying the good agreement between excitonic optical properties calculated using our model dielectric function, and those derived from ab initio methods, we demonstrate the versatility of this approach. Our test systems include: Monolayer hBN, monolayer MoS2, and the surface exciton of a 2 × 1 reconstructed Si(111) surface. Additionally, using our model, we easily take substrate screening effects into account. Hence, we include also a systematic study of the effects of substrate media on the excitonic optical properties of MoS2 and hBN. PMID:28117326

  19. Predicting acidification recovery at the Hubbard Brook Experimental Forest, New Hampshire: evaluation of four models.

    PubMed

    Tominaga, Koji; Aherne, Julian; Watmough, Shaun A; Alveteg, Mattias; Cosby, Bernard J; Driscoll, Charles T; Posch, Maximilian; Pourmokhtarian, Afshin

    2010-12-01

    The performance and prediction uncertainty (owing to parameter and structural uncertainties) of four dynamic watershed acidification models (MAGIC, PnET-BGC, SAFE, and VSD) were assessed by systematically applying them to data from the Hubbard Brook Experimental Forest (HBEF), New Hampshire, where long-term records of precipitation and stream chemistry were available. In order to facilitate systematic evaluation, Monte Carlo simulation was used to randomly generate common model input data sets (n = 10,000) from parameter distributions; input data were subsequently translated among models to retain consistency. The model simulations were objectively calibrated against observed data (streamwater: 1963-2004, soil: 1983). The ensemble of calibrated models was used to assess future response of soil and stream chemistry to reduced sulfur deposition at the HBEF. Although both hindcast (1850-1962) and forecast (2005-2100) predictions were qualitatively similar across the four models, the temporal pattern of key indicators of acidification recovery (stream acid neutralizing capacity and soil base saturation) differed substantially. The range in predictions resulted from differences in model structure and their associated posterior parameter distributions. These differences can be accommodated by employing multiple models (ensemble analysis) but have implications for individual model applications.

  20. 2D Numerical MHD Models of Solar Explosive Events

    NASA Astrophysics Data System (ADS)

    Roussev, I.

    2001-10-01

    Observations of the Sun reveal a great variety of dynamic phenomena interpretable as a manifestation of magnetic reconnection. These range from small-scale 'Explosive events' seen in the 'quiet' Sun, through violent flares observed in active regions. The high degree of complexity of the magnetic field inferred from observations may locally produce a fruitful environment for the process of magnetic reconnection to take place. Explosive events are associated with regions undergoing magnetic flux cancellation. This thesis presents a 2-dimensional (2D) numerical study devoted to explore the idea that the salient spectral signatures seen in explosive events are most probably caused by bi-directional outflow jets as a results of an ongoing magnetic reconnection. In order to provide qualitative results needed for the better physical interpretation of solar explosive events, several models intended to represent a 'quiet' Sun transition of solar explosive events, several models intended to represent a 'quiet' Sun transition region undergoing magnetic reconnection are examined, in both unstratified and gravitationally stratified atmospheres. The magnetic reconnection is initiated in an ad hoc manner, and the dynamic evolution is followed by numerically solving the equations of 2D dissipative magnetohydrodynamics (MHD), including the effects of field-aligned thermal conduction, radiative losses, volumetric heating, and anomalous resistivity.

  1. 2D Quantum Transport Modeling in Nanoscale MOSFETs

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, Bryan

    2001-01-01

    With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density- gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Quantum simulations are focused on MIT 25, 50 and 90 nm "well- tempered" MOSFETs and compared to classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are quantitatively consistent with I D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and sub-threshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

  2. Mass loss in 2D rotating stellar models

    SciTech Connect

    Lovekin, Caterine; Deupree, Bob

    2010-10-05

    Radiatively driven mass loss is an important factor in the evolution of massive stars . The mass loss rates depend on a number of stellar parameters, including the effective temperature and luminosity. Massive stars are also often rapidly rotating, which affects their structure and evolution. In sufficiently rapidly rotating stars, both the effective temperature and radius vary significantly as a function of latitude, and hence mass loss rates can vary appreciably between the poles and the equator. In this work, we discuss the addition of mass loss to a 2D stellar evolution code (ROTORC) and compare evolution sequences with and without mass loss. Preliminary results indicate that a full 2D calculation of mass loss using the local effective temperature and luminosity can significantly affect the distribution of mass loss in rotating main sequence stars. More mass is lost from the pole than predicted by 1D models, while less mass is lost at the equator. This change in the distribution of mass loss will affect the angular momentum loss, the surface temperature and luminosity, and even the interior structure of the star. After a single mass loss event, these effects are small, but can be expected to accumulate over the course of the main sequence evolution.

  3. Towards AN Understanding of the Large-U Hubbard Model and a Theory for High-Temperature Superconductors.

    NASA Astrophysics Data System (ADS)

    Hsu, Theodore Cheng-Tao

    This thesis describes work on a large-U Hubbard model theory for high temperature superconductors. After an introduction to recent developments in the field, we review experimental results. At the same time we introduce the holon-spinon model and comment on its successes and shortcomings. Using this heuristic model we then describe a holon pairing theory of superconductivity and list some experimental evidence for this 'interlayer coupling' theory. The latter part of the thesis is devoted to projected fermion mean field theories. They are introduced by applying this theory and some recently developed computational techniques to anisotropic antiferromagnets. This scheme is shown to give quantitatively good results for the two dimensional square lattice Heisenberg AFM. Our results have definite implications for a spinon theory of quantum antiferromagnets. Finally we study flux phases and other variational prescriptions for obtaining low lying states of the Hubbard model.

  4. Haldane insulator protected by reflection symmetry in the doped Hubbard model on the three-legged ladder

    NASA Astrophysics Data System (ADS)

    Nourse, H. L.; McCulloch, I. P.; Janani, C.; Powell, B. J.

    2016-12-01

    We demonstrate the existence of an insulating phase in the three-legged Hubbard ladder at two-thirds filling. In this phase chargons are bound because the physics within a unit cell favors the formation of triplets. The resultant moments lead to a ground state in the Haldane phase, a symmetry protected topological state of matter. In this purely fermionic model, reflection is protecting but time-reversal and dihedral symmetries are not, in contrast to spin models.

  5. Determinant quantum Monte Carlo study of the two-dimensional single-band Hubbard-Holstein model

    SciTech Connect

    Johnston, S.; Nowadnick, E. A.; Kung, Y. F.; Moritz, B.; Scalettar, R. T.; Devereaux, T. P.

    2013-06-24

    Here, we performed numerical studies of the Hubbard-Holstein model in two dimensions using determinant quantum Monte Carlo (DQMC). We also present details of the method, emphasizing the treatment of the lattice degrees of freedom, and then study the filling and behavior of the fermion sign as a function of model parameters. We find a region of parameter space with large Holstein coupling where the fermion sign recovers despite large values of the Hubbard interaction. This indicates that studies of correlated polarons at finite carrier concentrations are likely accessible to DQMC simulations. We then restrict ourselves to the half-filled model and examine the evolution of the antiferromagnetic structure factor, other metrics for antiferromagnetic and charge-density-wave order, and energetics of the electronic and lattice degrees of freedom as a function of electron-phonon coupling. From this we find further evidence for a competition between charge-density-wave and antiferromagnetic order at half- filling.

  6. Generalization Technique for 2D+SCALE Dhe Data Model

    NASA Astrophysics Data System (ADS)

    Karim, Hairi; Rahman, Alias Abdul; Boguslawski, Pawel

    2016-10-01

    Different users or applications need different scale model especially in computer application such as game visualization and GIS modelling. Some issues has been raised on fulfilling GIS requirement of retaining the details while minimizing the redundancy of the scale datasets. Previous researchers suggested and attempted to add another dimension such as scale or/and time into a 3D model, but the implementation of scale dimension faces some problems due to the limitations and availability of data structures and data models. Nowadays, various data structures and data models have been proposed to support variety of applications and dimensionality but lack research works has been conducted in terms of supporting scale dimension. Generally, the Dual Half Edge (DHE) data structure was designed to work with any perfect 3D spatial object such as buildings. In this paper, we attempt to expand the capability of the DHE data structure toward integration with scale dimension. The description of the concept and implementation of generating 3D-scale (2D spatial + scale dimension) for the DHE data structure forms the major discussion of this paper. We strongly believed some advantages such as local modification and topological element (navigation, query and semantic information) in scale dimension could be used for the future 3D-scale applications.

  7. Duality Between Spin Networks and the 2D Ising Model

    NASA Astrophysics Data System (ADS)

    Bonzom, Valentin; Costantino, Francesco; Livine, Etera R.

    2016-06-01

    The goal of this paper is to exhibit a deep relation between the partition function of the Ising model on a planar trivalent graph and the generating series of the spin network evaluations on the same graph. We provide respectively a fermionic and a bosonic Gaussian integral formulation for each of these functions and we show that they are the inverse of each other (up to some explicit constants) by exhibiting a supersymmetry relating the two formulations. We investigate three aspects and applications of this duality. First, we propose higher order supersymmetric theories that couple the geometry of the spin networks to the Ising model and for which supersymmetric localization still holds. Secondly, after interpreting the generating function of spin network evaluations as the projection of a coherent state of loop quantum gravity onto the flat connection state, we find the probability distribution induced by that coherent state on the edge spins and study its stationary phase approximation. It is found that the stationary points correspond to the critical values of the couplings of the 2D Ising model, at least for isoradial graphs. Third, we analyze the mapping of the correlations of the Ising model to spin network observables, and describe the phase transition on those observables on the hexagonal lattice. This opens the door to many new possibilities, especially for the study of the coarse-graining and continuum limit of spin networks in the context of quantum gravity.

  8. Ab initio derivation of multi-orbital extended Hubbard model for molecular crystals

    NASA Astrophysics Data System (ADS)

    Tsuchiizu, Masahisa; Omori, Yukiko; Suzumura, Yoshikazu; Bonnet, Marie-Laure; Robert, Vincent

    2012-01-01

    From configuration interaction (CI) ab initio calculations, we derive an effective two-orbital extended Hubbard model based on the gerade (g) and ungerade (u) molecular orbitals (MOs) of the charge-transfer molecular conductor (TTM-TTP)I3 and the single-component molecular conductor [Au(tmdt)2]. First, by focusing on the isolated molecule, we determine the parameters for the model Hamiltonian so as to reproduce the CI Hamiltonian matrix. Next, we extend the analysis to two neighboring molecule pairs in the crystal and we perform similar calculations to evaluate the inter-molecular interactions. From the resulting tight-binding parameters, we analyze the band structure to confirm that two bands overlap and mix in together, supporting the multi-band feature. Furthermore, using a fragment decomposition, we derive the effective model based on the fragment MOs and show that the staking TTM-TTP molecules can be described by the zig-zag two-leg ladder with the inter-molecular transfer integral being larger than the intra-fragment transfer integral within the molecule. The inter-site interactions between the fragments follow a Coulomb law, supporting the fragment decomposition strategy.

  9. Nonexistence of the Luttinger-Ward functional and misleading convergence of skeleton diagrammatic series for hubbard-like models.

    PubMed

    Kozik, Evgeny; Ferrero, Michel; Georges, Antoine

    2015-04-17

    The Luttinger-Ward functional Φ[G], which expresses the thermodynamic grand potential in terms of the interacting single-particle Green's function G, is found to be ill defined for fermionic models with the Hubbard on-site interaction. In particular, we show that the self-energy Σ[G]∝δΦ[G]/δG is not a single-valued functional of G: in addition to the physical solution for Σ[G], there exists at least one qualitatively distinct unphysical branch. This result is demonstrated for several models: the Hubbard atom, the Anderson impurity model, and the full two-dimensional Hubbard model. Despite this pathology, the skeleton Feynman diagrammatic series for Σ in terms of G is found to converge at least for moderately low temperatures. However, at strong interactions, its convergence is to the unphysical branch. This reveals a new scenario of breaking down of diagrammatic expansions. In contrast, the bare series in terms of the noninteracting Green's function G0 converges to the correct physical branch of Σ in all cases currently accessible by diagrammatic Monte Carlo calculations. In addition to their conceptual importance, these observations have important implications for techniques based on the explicit summation of the diagrammatic series.

  10. Nonexistence of the Luttinger-Ward Functional and Misleading Convergence of Skeleton Diagrammatic Series for Hubbard-Like Models

    NASA Astrophysics Data System (ADS)

    Kozik, Evgeny; Ferrero, Michel; Georges, Antoine

    2015-04-01

    The Luttinger-Ward functional Φ [G ] , which expresses the thermodynamic grand potential in terms of the interacting single-particle Green's function G , is found to be ill defined for fermionic models with the Hubbard on-site interaction. In particular, we show that the self-energy Σ [G ]∝δ Φ [G ]/δ G is not a single-valued functional of G : in addition to the physical solution for Σ [G ] , there exists at least one qualitatively distinct unphysical branch. This result is demonstrated for several models: the Hubbard atom, the Anderson impurity model, and the full two-dimensional Hubbard model. Despite this pathology, the skeleton Feynman diagrammatic series for Σ in terms of G is found to converge at least for moderately low temperatures. However, at strong interactions, its convergence is to the unphysical branch. This reveals a new scenario of breaking down of diagrammatic expansions. In contrast, the bare series in terms of the noninteracting Green's function G0 converges to the correct physical branch of Σ in all cases currently accessible by diagrammatic Monte Carlo calculations. In addition to their conceptual importance, these observations have important implications for techniques based on the explicit summation of the diagrammatic series.

  11. Threshold for chaos and thermalization in the one-dimensional mean-field bose-hubbard model.

    PubMed

    Cassidy, Amy C; Mason, Douglas; Dunjko, Vanja; Olshanii, Maxim

    2009-01-16

    We study the threshold for chaos and its relation to thermalization in the 1D mean-field Bose-Hubbard model, which, in particular, describes atoms in optical lattices. We identify the threshold for chaos, which is finite in the thermodynamic limit, and show that it is indeed a precursor of thermalization. Far above the threshold, the state of the system after relaxation is governed by the usual laws of statistical mechanics.

  12. Effects of Agent's Repulsion in 2d Flocking Models

    NASA Astrophysics Data System (ADS)

    Moussa, Najem; Tarras, Iliass; Mazroui, M'hammed; Boughaleb, Yahya

    In nature many animal groups, such as fish schools or bird flocks, clearly display structural order and appear to move as a single coherent entity. In order to understand the complex behavior of these systems, many models have been proposed and tested so far. This paper deals with an extension of the Vicsek model, by including a second zone of repulsion, where each agent attempts to maintain a minimum distance from the others. The consideration of this zone in our study seems to play an important role during the travel of agents in the two-dimensional (2D) flocking models. Our numerical investigations show that depending on the basic ingredients such as repulsion radius (R1), effect of density of agents (ρ) and noise (η), our nonequilibrium system can undergo a kinetic phase transition from no transport to finite net transport. For different values of ρ, kinetic phase diagrams in the plane (η ,R1) are found. Implications of these findings are discussed.

  13. 2-D Model for Normal and Sickle Cell Blood Microcirculation

    NASA Astrophysics Data System (ADS)

    Tekleab, Yonatan; Harris, Wesley

    2011-11-01

    Sickle cell disease (SCD) is a genetic disorder that alters the red blood cell (RBC) structure and function such that hemoglobin (Hb) cannot effectively bind and release oxygen. Previous computational models have been designed to study the microcirculation for insight into blood disorders such as SCD. Our novel 2-D computational model represents a fast, time efficient method developed to analyze flow dynamics, O2 diffusion, and cell deformation in the microcirculation. The model uses a finite difference, Crank-Nicholson scheme to compute the flow and O2 concentration, and the level set computational method to advect the RBC membrane on a staggered grid. Several sets of initial and boundary conditions were tested. Simulation data indicate a few parameters to be significant in the perturbation of the blood flow and O2 concentration profiles. Specifically, the Hill coefficient, arterial O2 partial pressure, O2 partial pressure at 50% Hb saturation, and cell membrane stiffness are significant factors. Results were found to be consistent with those of Le Floch [2010] and Secomb [2006].

  14. Organization of the Hilbert space for exact diagonalization of Hubbard model

    NASA Astrophysics Data System (ADS)

    Sharma, Medha; Ahsan, M. A. H.

    2015-08-01

    We present an alternative scheme to the widely used method of representing the basis of one-band Hubbard model through the relation I =I↑ +2MI↓ given by Lin and Gubernatis (1993), where I↑, I↓ and I are the integer equivalents of binary representations of occupation patterns of spin up, spin down and both spin up and spin down electrons respectively, with M being the number of sites. We compute and store only I↑ or I↓ at a time to generate the full Hamiltonian matrix. The non-diagonal part of the Hamiltonian matrix given as I↓ ⊗H↑ ⊕H↓ ⊗I↑ is generated using a bottom-up approach by computing the small matrices H↑ (spin up hopping Hamiltonian) and H↓ (spin down hopping Hamiltonian) and then forming the tensor product with respective identity matrices I↓ and I↑, thereby saving significant computation time and memory. We find that the total CPU time to generate the non-diagonal part of the Hamiltonian matrix using the new one spin configuration basis scheme is reduced by about an order of magnitude as compared to the two spin configuration basis scheme. The present scheme is shown to be inherently parallelizable. Its application to translationally invariant systems, computation of Green's functions and in impurity solver part of DMFT procedure is discussed and its extension to other models is also pointed out.

  15. Entanglement properties of the antiferromagnetic-singlet transition in the Hubbard model on bilayer square lattices

    SciTech Connect

    Chang, Chia-Chen; Singh, Rajiv R. P.; Scalettar, Richard T.

    2014-10-10

    Here, we calculate the bipartite R enyi entanglement entropy of an L x L x 2 bilayer Hubbard model using a determinantal quantum Monte Carlo method recently proposed by Grover [Phys. Rev. Lett. 111, 130402 (2013)]. Two types of bipartition are studied: (i) One that divides the lattice into two L x L planes, and (ii) One that divides the lattice into two equal-size (L x L=2 x 2) bilayers. Furthermore, we compare our calculations with those for the tight-binding model studied by the correlation matrix method. As expected, the entropy for bipartition (i) scales as L2, while the latter scales with L with possible logarithmic corrections. The onset of the antiferromagnet to singlet transition shows up by a saturation of the former to a maximal value and the latter to a small value in the singlet phase. We also comment on the large uncertainties in the numerical results with increasing U, which would have to be overcome before the critical behavior and logarithmic corrections can be quanti ed.

  16. Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo

    SciTech Connect

    Kung, Y. F.; Chen, C. -C.; Wang, Yao; Huang, E. W.; Nowadnick, E. A.; Moritz, B.; Scalettar, R. T.; Johnston, S.; Devereaux, T. P.

    2016-04-29

    Here, we characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The simulations find that doped holes preferentially reside on oxygen orbitals and that the (π,π) antiferromagnetic ordering vector dominates in the vicinity of the undoped system, as known from experiments. The orbitally-resolved spectral functions agree well with photoemission spectroscopy studies and enable identification of orbital content in the bands. A comparison of DQMC results with exact diagonalization and cluster perturbation theory studies elucidates how these different numerical techniques complement one another to produce a more complete understanding of the model and the cuprates. Interestingly, our DQMC simulations predict a charge-transfer gap that is significantly smaller than the direct (optical) gap measured in experiment. Most likely, it corresponds to the indirect gap that has recently been suggested to be on the order of 0.8 eV, and demonstrates the subtlety in identifying charge gaps.

  17. Robust Supersolidity in the V1- V2 Extended Bose-Hubbard Model

    NASA Astrophysics Data System (ADS)

    Greene, Nicole; Pixley, Jedediah

    2016-05-01

    Motivated by ultra-cold atomic gases with long-range interactions in an optical lattice we study the effects of the next-nearest neighbor interaction on the extended Bose-Hubbard model on a square lattice. Using the variational Gutzwiller approach with a four-site unit cell we determine the ground state phase diagrams as a function of the model parameters. We focus on the interplay of each interaction between the nearest neighbor (V1) , the next-nearest neighbor (V2) , and the onsite repulsion (U). We find various super-solid phases that can be described by one of the ordering wave-vectors (π, 0), (0, π) , and (π, π) . In the limits V1, V2 U we find phases reminiscent of the limit V2 = 0 but with a richer super solid structure. For V1

  18. Entanglement properties of the antiferromagnetic-singlet transition in the Hubbard model on bilayer square lattices

    DOE PAGES

    Chang, Chia-Chen; Singh, Rajiv R. P.; Scalettar, Richard T.

    2014-10-10

    Here, we calculate the bipartite R enyi entanglement entropy of an L x L x 2 bilayer Hubbard model using a determinantal quantum Monte Carlo method recently proposed by Grover [Phys. Rev. Lett. 111, 130402 (2013)]. Two types of bipartition are studied: (i) One that divides the lattice into two L x L planes, and (ii) One that divides the lattice into two equal-size (L x L=2 x 2) bilayers. Furthermore, we compare our calculations with those for the tight-binding model studied by the correlation matrix method. As expected, the entropy for bipartition (i) scales as L2, while the lattermore » scales with L with possible logarithmic corrections. The onset of the antiferromagnet to singlet transition shows up by a saturation of the former to a maximal value and the latter to a small value in the singlet phase. We also comment on the large uncertainties in the numerical results with increasing U, which would have to be overcome before the critical behavior and logarithmic corrections can be quanti ed.« less

  19. Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo

    DOE PAGES

    Kung, Y. F.; Chen, C. -C.; Wang, Yao; ...

    2016-04-29

    Here, we characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The simulations find that doped holes preferentially reside on oxygen orbitals and that the (π,π) antiferromagnetic ordering vector dominates in the vicinity of the undoped system, as known from experiments. The orbitally-resolved spectral functions agree well with photoemission spectroscopy studies and enable identification of orbital content in the bands. A comparison of DQMC results with exact diagonalization and cluster perturbation theory studies elucidates how these different numerical techniques complement one another to produce a more complete understandingmore » of the model and the cuprates. Interestingly, our DQMC simulations predict a charge-transfer gap that is significantly smaller than the direct (optical) gap measured in experiment. Most likely, it corresponds to the indirect gap that has recently been suggested to be on the order of 0.8 eV, and demonstrates the subtlety in identifying charge gaps.« less

  20. Ginzburg-Landau expansion in BCS-BEC crossover region of disordered attractive Hubbard model

    NASA Astrophysics Data System (ADS)

    Kuchinskii, E. Z.; Kuleeva, N. A.; Sadovskii, M. V.

    2017-01-01

    We have studied disorder effects on the coefficients of Ginzburg-Landau expansion for attractive Hubbard model within the generalized DMFT+Σ approximation for the wide region of the values of attractive potential U—from the weak-coupling limit, where superconductivity is described by BCS model, towards the strong coupling, where superconducting transition is related to Bose-Einstein condensation (BEC) of compact Cooper pairs. For the case of semi-elliptic initial density of states disorder influence on the coefficients A and B before the square and the fourth power of the order parameter is universal for at all values of electronic correlations and is related only to the widening of the initial conduction band (density of states) by disorder. Similar universal behavior is valid for superconducting critical temperature Tc (the generalized Anderson theorem) and specific heat discontinuity at the transition. This universality is absent for the coefficient C before the gradient term, which in accordance with the standard theory of "dirty" superconductors is strongly suppressed by disorder in the weak-coupling region, but can slightly grow in BCS-BEC crossover region, becoming almost independent of disorder in the strong coupling region. This leads to rather weak disorder dependence of the penetration depth and coherence length, as well as the slope of the upper critical magnetic field at Tc, in BCS-BEC crossover and strong coupling regions.

  1. Non-adiabatic exchange-correlation kernel for the non-equilibrium response of three-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Acharya, Shree Ram; Baral, Nisha; Turkowski, Volodymyr; Rahman, Talat S.

    2015-03-01

    We apply Dynamical Mean-Field Theory (DMFT) to calculate the non-adiabatic (frequency-dependent) exchange-correlation kernel for the three-dimensional Hubbard model. We analyze the dependence of the kernel on the electron doping, local Coulomb repulsion and frequency by using three different impurity solvers: Hubbard-I, Iterative Perturbation Theory (IPT) and Continuous-Time Quantum Monte Carlo (CT-QMC). From the calculated data, we obtain approximate analytical expressions for the kernel. We apply the exact numerical and analytical kernels to study the non-equilibrium response of the system for applied ultrafast laser pulse. We demonstrate that the non-adiabaticity of the kernel plays an important role in the system response; in particular, leading to new excited-states involved in the system dynamics. Work supported in part by DOE Grant No. DOE-DE-FG02-07ER46354.

  2. Ab initio modeling of 2D layered organohalide lead perovskites

    NASA Astrophysics Data System (ADS)

    Fraccarollo, Alberto; Cantatore, Valentina; Boschetto, Gabriele; Marchese, Leonardo; Cossi, Maurizio

    2016-04-01

    A number of 2D layered perovskites A2PbI4 and BPbI4, with A and B mono- and divalent ammonium and imidazolium cations, have been modeled with different theoretical methods. The periodic structures have been optimized (both in monoclinic and in triclinic systems, corresponding to eclipsed and staggered arrangements of the inorganic layers) at the DFT level, with hybrid functionals, Gaussian-type orbitals and dispersion energy corrections. With the same methods, the various contributions to the solid stabilization energy have been discussed, separating electrostatic and dispersion energies, organic-organic intralayer interactions and H-bonding effects, when applicable. Then the electronic band gaps have been computed with plane waves, at the DFT level with scalar and full relativistic potentials, and including the correlation energy through the GW approximation. Spin orbit coupling and GW effects have been combined in an additive scheme, validated by comparing the computed gap with well known experimental and theoretical results for a model system. Finally, various contributions to the computed band gaps have been discussed on some of the studied systems, by varying some geometrical parameters and by substituting one cation in another's place.

  3. Mathematical model for silicon electrode - Part I. 2-d model

    NASA Astrophysics Data System (ADS)

    Sikha, Godfrey; De, Sumitava; Gordon, Joseph

    2014-09-01

    This paper presents a 2-dimensional transient numerical model to simulate the electrochemical lithium insertion in a silicon nanowire (Si NW) electrode. The model geometry is a cylindrical Si NW electrode anchored to a copper current collector (Cu CC) substrate. The model solves for diffusion of lithium in Si NW, stress generation in the Si NW due to chemical and elastic strains, stress generation in the Cu CC due to elastic strain, and volume expansion in the Si NW and Cu CC geometries. The evolution of stress components, i.e., radial, axial and tangential stresses in different regions in the Si NW are presented and discussed. The effect of radius of Si NW and lithiation rate, on the maximum stresses developed in the Si NW are also discussed.

  4. Quantum quench dynamics of the Bose-Hubbard model at finite temperatures

    SciTech Connect

    Zhang, J. M.; Shen, C.; Liu, W. M.

    2011-06-15

    We study quench dynamics of the Bose-Hubbard model by exact diagonalization. Initially, the system is at thermal equilibrium and of a finite temperature. The system is then quenched by changing the on-site interaction strength U suddenly. Both the single-quench and double-quench scenarios are considered. In the former case, the time-averaged density matrix and the real-time evolution are investigated. It is found that though the system thermalizes only in a very narrow range of the quenched value of U, it does equilibrate or relax well into a much larger range. Most importantly, it is proven that this is guaranteed for some typical observables in the thermodynamic limit. In order to test whether it is possible to distinguish the unitarily evolving density matrix from the time-averaged (thus time-independent), fully decohered density matrix, a second quench is considered. It turns out that the answer is affirmative or negative depending on whether the intermediate value of U is zero or not.

  5. Self-consistent Keldysh approach to quenches in the weakly interacting Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Lo Gullo, N.; Dell'Anna, L.

    2016-11-01

    We present a nonequilibrium Green's-functional approach to study the dynamics following a quench in weakly interacting Bose-Hubbard model (BHM). The technique is based on the self-consistent solution of a set of equations which represents a particular case of the most general set of Hedin's equations for the interacting single-particle Green's function. We use the ladder approximation as a skeleton diagram for the two-particle scattering amplitude useful, through the self-energy in the Dyson equation, for finding the interacting single-particle Green's function. This scheme is then implemented numerically by a parallelized code. We exploit this approach to study the correlation propagation after a quench in the interaction parameter, for one and two dimensions. In particular, we show how our approach is able to recover the crossover from the ballistic to the diffusive regime by increasing the boson-boson interaction. Finally we also discuss the role of a thermal initial state on the dynamics both for one- and two-dimensional BHMs, finding that, surprisingly, at high temperature a ballistic evolution is restored.

  6. Occupation number and fluctuations in the finite-temperature Bose-Hubbard model

    SciTech Connect

    Plimak, L.I.; Fleischhauer, M.; Olsen, M.K.

    2004-07-01

    We study the occupation numbers and number fluctuations of ultracold atoms in deep optical lattices for finite-temperatures within the Bose-Hubbard model. Simple analytical expressions for the mean occupation number and number fluctuations are obtained in the weak-hopping regime using an interpolation between results from different perturbation approaches in the Mott-insulator and superfluid phases. With this approach the magnitude of number fluctuations under a wide range of experimental conditions can be estimated and the properties of the finite-temperature phase diagram can be studied. These analytical results are compared to exact one-dimensional numerical calculations using a finite temperature variant of the density-matrix renormalization group (DMRG) method and found to have a high degree of accuracy. We find very good agreement, also in the crossover 'thermal' region. We also analyze the influence of finite temperature on the behavior of the system in the vicinity of the zero-temperature phase transition, in one, two, and three dimensions.

  7. Interplay of Pomeranchuk instability and superconductivity in the two-dimensional repulsive Hubbard model

    NASA Astrophysics Data System (ADS)

    Kitatani, Motoharu; Tsuji, Naoto; Aoki, Hideo

    2017-02-01

    Interplay of Pomeranchuk instability (spontaneous symmetry breaking of the Fermi surface) and d -wave superconductivity is studied for the repulsive Hubbard model on the square lattice with the dynamical mean-field theory combined with the fluctuation exchange approximation (FLEX+DMFT). We show that the fourfold symmetric Fermi surface becomes unstable against a spontaneous distortion into twofold near the van Hove filling, where the symmetry of superconductivity coexisting with the Pomeranchuk-distorted Fermi surface is modified from the d -wave pairing to the (d +s ) wave. By systematically shifting the position of van Hove filling with varied second- and third-neighbor hoppings, we find that the transition temperature TcPI for the Pomeranchuk instability is more sensitively affected by the position of van Hove filling than the superconducting TcSC. This implies that the filling region for strong Pomeranchuk instability and that for the TcSC dome can be separated, and that Pomeranchuk instability can appear even if the peak of TcPI is lower than the peak of TcSC. An interesting finding is that the Fermi surface distortion can enhance the superconducting TcSC in the overdoped regime, which is explained with a perturbational picture for small distortions.

  8. Orbital nematic order and interplay with magnetism in the two-orbital Hubbard model.

    PubMed

    Wang, Zhentao; Nevidomskyy, Andriy H

    2015-06-10

    Motivated by the recent angle-resolved photoemission spectroscopy (ARPES) on FeSe and iron pnictide families of iron-based superconductors, we have studied the orbital nematic order and its interplay with antiferromagnetism within the two-orbital Hubbard model. We used random phase approximation (RPA) to calculate the dependence of the orbital and magnetic susceptibilities on the strength of interactions and electron density (doping). To account for strong electron correlations not captured by RPA, we further employed non-perturbative variational cluster approximation (VCA) capable of capturing symmetry broken magnetic and orbitally ordered phases. Both approaches show that the electron and hole doping affect the two orders differently. While hole doping tends to suppress both magnetism and orbital ordering, the electron doping suppresses magnetism faster. Crucially, we find a realistic parameter regime for moderate electron doping that stabilizes orbital nematicity in the absence of long-range antiferromagnetic order. This is reminiscent of the non-magnetic orbital nematic phase observed recently in FeSe and a number of iron pnictide materials and raises the possibility that at least in some cases, the observed electronic nematicity may be primarily due to orbital rather than magnetic fluctuations.

  9. Effective Hamiltonian based Monte Carlo for the BCS to BEC crossover in the attractive Hubbard model

    NASA Astrophysics Data System (ADS)

    Pasrija, Kanika; Chakraborty, Prabuddha B.; Kumar, Sanjeev

    2016-10-01

    We present an effective Hamiltonian based real-space approach for studying the weak-coupling BCS to the strong-coupling Bose-Einstein condensate crossover in the two-dimensional attractive Hubbard model at finite temperatures. We introduce and justify an effective classical Hamiltonian to describe the thermal fluctuations of the relevant auxiliary fields. Our results for Tc and phase diagrams compare very well with those obtained from more sophisticated and CPU-intensive numerical methods. We demonstrate that the method works in the presence of disorder and can be a powerful tool for a real-space description of the effect of disorder on superconductivity. From a combined analysis of the superconducting order parameter, the distribution of auxiliary fields, and the quasiparticle density of states, we identify the regions of metallic, insulating, superconducting, and pseudogapped behavior. Our finding of the importance of phase fluctuations for the pseudogap behavior is consistent with the conclusions drawn from recent experiments on NbN superconductors. The method can be generalized to study superconductors with nontrivial order-parameter symmetries by identifying the relevant auxiliary variables.

  10. Doping evolution of spin and charge excitations in the Hubbard model

    DOE PAGES

    Kung, Y. F.; Nowadnick, E. A.; Jia, C. J.; ...

    2015-11-05

    We shed light on how electronic correlations vary across the phase diagram of the cuprate superconductors, examining the doping evolution of spin and charge excitations in the single-band Hubbard model using determinant quantum Monte Carlo (DQMC). In the single-particle response, we observe that the effects of correlations weaken rapidly with doping, such that one may expect the random phase approximation (RPA) to provide an adequate description of the two-particle response. In contrast, when compared to RPA, we find that significant residual correlations in the two-particle excitations persist up to 40% hole and 15% electron doping (the range of dopings achievedmore » in the cuprates). Ultimately, these fundamental differences between the doping evolution of single- and multi-particle renormalizations show that conclusions drawn from single-particle processes cannot necessarily be applied to multi-particle excitations. Eventually, the system smoothly transitions via a momentum-dependent crossover into a weakly correlated metallic state where the spin and charge excitation spectra exhibit similar behavior and where RPA provides an adequate description.« less

  11. Pairing symmetries in a Hubbard model on an anisotropic triangular lattice

    NASA Astrophysics Data System (ADS)

    Watanabe, Tsutomu; Yokoyama, Hisatoshi; Tanaka, Yukio; Inoue, Jun-ichiro

    2007-10-01

    To consider the paring symmetry formed in organic compounds κ-(BEDT-TTF)2X, we study the half-filled-band Hubbard model on an anisotropic triangular lattice (t in two bond directions and t‧ in the other), using an optimization VMC method. As trial states, we adopt a coexisting state of an antiferromagnetic (AF) order and the dx2-y2 -wave RVB gap, in addition to the d + id- and d + d-wave gap states. In these states, we take account of the effect of band (or Fermi surface) renormalization. Magnetic Mott transitions occur, and a regime of robust superconductivity could not be found, in contrast with our previous study. In the insulating regime, the coexisting state in which an AF order prevails is always the lowest-energy state up to remarkably large t‧/t (≲1.3), whereas a dxy-wave RVB state becomes predominant when t‧/t exceeds this value. In the insulating regime, the effective Fermi surface, determined by the renormalized value t˜‧ / t , is markedly renormalized into different directions according to t‧/t; for t‧/t ≲ 1.3, it approaches that of the square lattice (t˜‧ / t = 0) , whereas for t‧/t ≳ 1.3, it becomes almost one-dimensional (t˜‧ / t≫ 1) .

  12. Linked-cluster expansion for the Green's function of the infinite-U Hubbard model.

    PubMed

    Khatami, Ehsan; Perepelitsky, Edward; Rigol, Marcos; Shastry, B Sriram

    2014-06-01

    We implement a highly efficient strong-coupling expansion for the Green's function of the Hubbard model. In the limit of extreme correlations, where the onsite interaction is infinite, the evaluation of diagrams simplifies dramatically enabling us to carry out the expansion to the eighth order in powers of the hopping amplitude. We compute the finite-temperature Green's function analytically in the momentum and Matsubara frequency space as a function of the electron density. Employing Padé approximations, we study the equation of state, Kelvin thermopower, momentum distribution function, quasiparticle fraction, and quasiparticle lifetime of the system at temperatures lower than, or of the order of, the hopping amplitude. We also discuss several different approaches for obtaining the spectral functions through analytic continuation of the imaginary frequency Green's function, and show results for the system near half filling. We benchmark our results for the equation of state against those obtained from a numerical linked-cluster expansion carried out to the eleventh order.

  13. Unconventional superconductivity in generalized Hubbard model: role of electron-hole symmetry breaking terms

    NASA Astrophysics Data System (ADS)

    Wysokiński, Marcin M.; Kaczmarczyk, Jan

    2017-03-01

    We investigate the effect of the electron-hole (e-h) symmetry breaking on d-wave superconductivity induced by non-local effects of correlations in the generalized Hubbard model. The symmetry breaking is introduced in a two-fold manner: by the next-to-nearest neighbor hopping of electrons and by the charge-bond interaction—the off-diagonal term of the Coulomb potential. Both terms lead to a pronounced asymmetry of the superconducting order parameter. The next-to-nearest neighbor hopping enhances superconductivity for h-doping, while diminishes it for e-doping. The charge-bond interaction alone leads to the opposite effect and, additionally, to the kinetic-energy gain upon condensation in the underdoped regime. With both terms included, with similar amplitudes, the height of the superconducting dome and the critical doping remain in favor of h-doping. The influence of the charge-bond interaction on deviations from {{d}{{x2}-{{y}2}}} symmetry of the shape of the gap at the Fermi surface in the momentum space is briefly discussed.

  14. Dark-polariton bound pairs in the modified Jaynes-Cummings-Hubbard model

    NASA Astrophysics Data System (ADS)

    Maggitti, A.; Radonjić, M.; Jelenković, B. M.

    2016-01-01

    We investigate a one-dimensional modified Jaynes-Cummings-Hubbard chain of N identical QED cavities with nearest-neighbor photon tunneling and periodic boundary conditions. Each cavity contains an embedded three-level atom which is coupled to a cavity mode and an external classical control field. In the case of two excitations and common large detuning of two Raman-resonant fields, we show the emergence of two different species of dark-polariton bound pairs (DPBPs) that are mutually localized in their relative spatial coordinates. Due to the high degree of controllability, we show the appearance of either one or two DPBPs, having the energies within the energy gaps between three bands of mutually delocalized eigenstates. Interestingly, in a different parameter regime with negatively detuned Raman fields, we find that the ground state of the system is a DPBP which can be utilized for the photon storage, retrieval, and controllable state preparation. Moreover, we propose an experimental realization of our model system.

  15. Hidden Mott transition and large-U superconductivity in the two-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Tocchio, Luca F.; Becca, Federico; Sorella, Sandro

    2016-11-01

    We consider the one-band Hubbard model on the square lattice by using variational and Green's function Monte Carlo methods, where the variational states contain Jastrow and backflow correlations on top of an uncorrelated wave function that includes BCS pairing and magnetic order. At half-filling, where the ground state is antiferromagnetically ordered for any value of the on-site interaction U , we can identify a hidden critical point UMott, above which a finite BCS pairing is stabilized in the wave function. The existence of this point is reminiscent of the Mott transition in the paramagnetic sector and determines a separation between a Slater insulator (at small values of U ), where magnetism induces a potential energy gain, and a Mott insulator (at large values of U ), where magnetic correlations drive a kinetic energy gain. Most importantly, the existence of UMott has crucial consequences when doping the system: We observe a tendency for phase separation into hole-rich and hole-poor regions only when doping the Slater insulator, while the system is uniform by doping the Mott insulator. Superconducting correlations are clearly observed above UMott, leading to the characteristic dome structure in doping. Furthermore, we show that the energy gain due to the presence of a finite BCS pairing above UMott shifts from the potential to the kinetic sector by increasing the value of the Coulomb repulsion.

  16. Doping evolution of spin and charge excitations in the Hubbard model

    SciTech Connect

    Kung, Y. F.; Nowadnick, E. A.; Jia, C. J.; Johnston, S.; Moritz, B.; Scalettar, R. T.; Devereaux, T. P.

    2015-11-05

    We shed light on how electronic correlations vary across the phase diagram of the cuprate superconductors, examining the doping evolution of spin and charge excitations in the single-band Hubbard model using determinant quantum Monte Carlo (DQMC). In the single-particle response, we observe that the effects of correlations weaken rapidly with doping, such that one may expect the random phase approximation (RPA) to provide an adequate description of the two-particle response. In contrast, when compared to RPA, we find that significant residual correlations in the two-particle excitations persist up to 40% hole and 15% electron doping (the range of dopings achieved in the cuprates). Ultimately, these fundamental differences between the doping evolution of single- and multi-particle renormalizations show that conclusions drawn from single-particle processes cannot necessarily be applied to multi-particle excitations. Eventually, the system smoothly transitions via a momentum-dependent crossover into a weakly correlated metallic state where the spin and charge excitation spectra exhibit similar behavior and where RPA provides an adequate description.

  17. The phase diagram of the square lattice bilayer Hubbard model: a variational Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Rüger, Robert; Tocchio, Luca F.; Valentí, Roser; Gros, Claudius

    2014-03-01

    We investigate the phase diagram of the square lattice bilayer Hubbard model at half-filling with the variational Monte Carlo method for both the magnetic and the paramagnetic case as a function of the interlayer hopping {{t}_{\\bot }} and on-site Coulomb repulsion U. With this study we resolve some discrepancies in previous calculations based on the dynamical mean-field theory, and we are able to determine the nature of the phase transitions between metal, Mott insulator and band insulator. In the magnetic case we find only two phases: an antiferromagnetic Mott insulator at small {{t}_{\\bot }} for any value of U and a band insulator at large {{t}_{\\bot }}. At large U values we approach the Heisenberg limit. The paramagnetic phase diagram shows at small {{t}_{\\bot }} a metal to Mott insulator transition at moderate U values and a Mott to band insulator transition at larger U values. We also observe a re-entrant Mott insulator to metal transition and metal to band insulator transition for increasing {{t}_{\\bot }} in the range of 5.5t. Finally, we discuss the phase diagrams obtained in relation to findings from previous studies based on different many-body approaches.

  18. 2D modeling of electromagnetic waves in cold plasmas

    SciTech Connect

    Crombé, K.; Van Eester, D.; Koch, R.; Kyrytsya, V.

    2014-02-12

    The consequences of sheath (rectified) electric fields, resulting from the different mobility of electrons and ions as a response to radio frequency (RF) fields, are a concern for RF antenna design as it can cause damage to antenna parts, limiters and other in-vessel components. As a first step to a more complete description, the usual cold plasma dielectric description has been adopted, and the density profile was assumed to be known as input. Ultimately, the relevant equations describing the wave-particle interaction both on the fast and slow timescale will need to be tackled but prior to doing so was felt as a necessity to get a feeling of the wave dynamics involved. Maxwell's equations are solved for a cold plasma in a 2D antenna box with strongly varying density profiles crossing also lower hybrid and ion-ion hybrid resonance layers. Numerical modelling quickly becomes demanding on computer power, since a fine grid spacing is required to capture the small wavelengths effects of strongly evanescent modes.

  19. Effective theory and emergent SU(2 ) symmetry in the flat bands of attractive Hubbard models

    NASA Astrophysics Data System (ADS)

    Tovmasyan, Murad; Peotta, Sebastiano; Törmä, Päivi; Huber, Sebastian D.

    2016-12-01

    In a partially filled flat Bloch band electrons do not have a well defined Fermi surface and hence the low-energy theory is not a Fermi liquid. Nevertheless, under the influence of an attractive interaction, a superconductor well described by the Bardeen-Cooper-Schrieffer (BCS) wave function can arise. Here we study the low-energy effective Hamiltonian of a generic Hubbard model with a flat band. We obtain an effective Hamiltonian for the flat band physics by eliminating higher-lying bands via the perturbative Schrieffer-Wolff transformation. At first order in the interaction energy we recover the usual procedure of projecting the interaction term onto the flat band Wannier functions. We show that the BCS wave function is the exact ground state of the projected interaction Hamiltonian, if a simple uniform pairing condition on the single-particle states is satisfied, and that the compressibility is diverging as a consequence of an emergent SU(2 ) symmetry. This symmetry is broken by second-order interband transitions resulting in a finite compressibility, which we illustrate for a one-dimensional ladder with two perfectly flat bands. These results motivate a further approximation leading to an effective ferromagnetic Heisenberg model. The gauge-invariant result for the superfluid weight of a flat band can be obtained from the ferromagnetic Heisenberg model only if the maximally localized Wannier functions in the Marzari-Vanderbilt sense are used. Finally, we prove an important inequality D ≥W2 between the Drude weight D and the winding number W , which guarantees ballistic transport for topologically nontrivial flat bands in one dimension.

  20. 2D DEM model of sand transport with wind interaction

    NASA Astrophysics Data System (ADS)

    Oger, L.; Valance, A.

    2013-06-01

    The advance of the dunes in the desert is a threat to the life of the local people. The dunes invade houses, agricultural land and perturb the circulation on the roads. It is therefore very important to understand the mechanism of sand transport in order to fight against desertification. Saltation in which sand grains are propelled by the wind along the surface in short hops, is the primary mode of blown sand movement [1]. The saltating grains are very energetic and when impact a sand surface, they rebound and consequently eject other particles from the sand bed. The ejected grains, called reptating grains, contribute to the augmentation of the sand flux. Some of them can be promoted to the saltation motion. We use a mechanical model based on the Discrete Element Method to study successive collisions of incident energetic beads with granular packing in the context of Aeolian saltation transport. We investigate the collision process for the case where the incident bead and those from the packing have identical mechanical properties. We analyze the features of the consecutive collision processes made by the transport of the saltating disks by a wind in which its profile is obtained from the counter-interaction between air flow and grain flows. We used a molecular dynamics method known as DEM (soft Discrete Element Method) with a initial static packing of 20000 2D particles. The dilation of the upper surface due to the consecutive collisions is responsible for maintaining the flow at a given energy input due to the wind.

  1. Modeling ecohydrologic processes at Hubbard Brook: Initial results for Watershed 6 stream discharge and chemistry

    EPA Science Inventory

    The Hubbard Brook Long Term Ecological Research site has produced some of the most extensive and long-running databases on the hydrology, biology and chemistry of forest ecosystem responses to climate and forest harvest. We used these long-term databases to calibrate and apply G...

  2. Phase diagram of the Bose-Hubbard model with T{sub 3} symmetry

    SciTech Connect

    Rizzi, Matteo; Fazio, Rosario; Cataudella, Vittorio

    2006-04-01

    We study the quantum phase transition between the insulating and the globally coherent superfluid phases in the Bose-Hubbard model with T{sub 3} structure, the 'dice lattice'. Even in the absence of any frustration the superfluid phase is characterized by modulation of the order parameter on the different sublattices of the T{sub 3} structure. The zero-temperature critical point as a function of magnetic field shows the characteristic 'butterfly' form. At full frustration the superfluid region is strongly suppressed. In addition, due to the existence of the Aharonov-Bohm cages at f=1/2, we find some evidence for the existence of an intermediate insulating phase characterized by a zero superfluid stiffness but finite compressibility. In this intermediate phase bosons are localized due to the external frustration and the topology of the T{sub 3} lattice. We name this new phase the Aharonov-Bohm insulator. In the presence of charge frustration the phase diagram acquires the typical lobe structure. The form and hierarchy of the Mott insulating states with fractional fillings are dictated by the particular topology of the T{sub 3} lattice. The results presented were obtained by a variety of analytical methods: mean-field and variational techniques to approach the phase boundary from the superconducting side and a strongly coupled expansion appropriate for the Mott insulating region. In addition we performed quantum Monte Carlo simulations of the corresponding (2+1)-dimensional XY model to corroborate the analytical calculations with a more accurate quantitative analysis. We finally discuss experimental realization of the T{sub 3} lattice both with optical lattices and with Josephson junction arrays.

  3. Unconventional superconducting phases for the two-dimensional extended Hubbard model on a square lattice

    NASA Astrophysics Data System (ADS)

    Huang, Wen-Min; Lai, Chen-Yen; Shi, Chuntai; Tsai, Shan-Wen

    2013-08-01

    We study the phase diagram of the extended Hubbard model on a two-dimensional square lattice, including on-site (U) and nearest-neighbor (V) interactions, at weak couplings. We show that the charge-density wave phase that is known to occur at half filling when 4V>U gives way to a dxy-wave superconducting instability away from half filling, when the Fermi surface is not perfectly nested, and for sufficiently large repulsive V and a range of on-site repulsive interaction U. In addition, when nesting is further suppressed and in the presence of a nearest-neighbor attraction, a triplet time-reversal breaking (px+ipy)-wave pairing instability emerges, competing with the dx2-y2 pairing state that is known to dominate at fillings just slightly away from half. At even smaller fillings, where the Fermi surface no longer presents any nesting, the (px+ipy)-wave superconducting phase dominates in the whole regime of on-site repulsions and nearest-neighbor attractions, while dxy pairing occurs in the presence of on-site attraction. Our results suggest that zero-energy Majorana fermions can be realized on a square lattice in the presence of a magnetic field. For a system of cold fermionic atoms on a two-dimensional square optical lattice, both an on-site repulsion and a nearest-neighbor attraction would be required, in addition to rotation of the system to create vortices. We discuss possible ways of experimentally engineering the required interaction terms in a cold atom system.

  4. A 2D simulation model for urban flood management

    NASA Astrophysics Data System (ADS)

    Price, Roland; van der Wielen, Jonathan; Velickov, Slavco; Galvao, Diogo

    2014-05-01

    The European Floods Directive, which came into force on 26 November 2007, requires member states to assess all their water courses and coast lines for risk of flooding, to map flood extents and assets and humans at risk, and to take adequate and coordinated measures to reduce the flood risk in consultation with the public. Flood Risk Management Plans are to be in place by 2015. There are a number of reasons for the promotion of this Directive, not least because there has been much urban and other infrastructural development in flood plains, which puts many at risk of flooding along with vital societal assets. In addition there is growing awareness that the changing climate appears to be inducing more frequent extremes of rainfall with a consequent increases in the frequency of flooding. Thirdly, the growing urban populations in Europe, and especially in the developing countries, means that more people are being put at risk from a greater frequency of urban flooding in particular. There are urgent needs therefore to assess flood risk accurately and consistently, to reduce this risk where it is important to do so or where the benefit is greater than the damage cost, to improve flood forecasting and warning, to provide where necessary (and possible) flood insurance cover, and to involve all stakeholders in decision making affecting flood protection and flood risk management plans. Key data for assessing risk are water levels achieved or forecasted during a flood. Such levels should of course be monitored, but they also need to be predicted, whether for design or simulation. A 2D simulation model (PriceXD) solving the shallow water wave equations is presented specifically for determining flood risk, assessing flood defense schemes and generating flood forecasts and warnings. The simulation model is required to have a number of important properties: -Solve the full shallow water wave equations using a range of possible solutions; -Automatically adjust the time step and

  5. Interaction-induced two-photon edge states in an extended Hubbard model realized in a cavity array

    NASA Astrophysics Data System (ADS)

    Gorlach, Maxim A.; Poddubny, Alexander N.

    2017-03-01

    We study theoretically two-photon states in a periodic array of coupled cavities with both on-site and nonlocal Kerr-type nonlinearities. In the absence of nonlinearity the structure is topologically trivial and possesses no edge states. The interplay of two nonlinear interaction mechanisms described by the extended Hubbard model facilitates the formation of edge states of bound photon pairs. Numerical and exact analytical results for the two-photon wave functions are presented. Our findings thus shed light onto the edge states of composite particles and their localization properties.

  6. Role of vertex corrections in the matrix formulation of the random phase approximation for the multiorbital Hubbard model

    NASA Astrophysics Data System (ADS)

    Altmeyer, Michaela; Guterding, Daniel; Hirschfeld, P. J.; Maier, Thomas A.; Valentí, Roser; Scalapino, Douglas J.

    2016-12-01

    In the framework of a multiorbital Hubbard model description of superconductivity, a matrix formulation of the superconducting pairing interaction that has been widely used is designed to treat spin, charge, and orbital fluctuations within a random phase approximation (RPA). In terms of Feynman diagrams, this takes into account particle-hole ladder and bubble contributions as expected. It turns out, however, that this matrix formulation also generates additional terms which have the diagrammatic structure of vertex corrections. Here we examine these terms and discuss the relationship between the matrix-RPA superconducting pairing interaction and the Feynman diagrams that it sums.

  7. Magnetic phase diagram and Mott transition of the half-filled 1/5 -depleted Hubbard model with frustration

    NASA Astrophysics Data System (ADS)

    Yamada, Atsushi

    2014-12-01

    The magnetic properties and Mott transition of the half-filled Hubbard model on the 1/5 -depleted square lattice with frustration are studied at zero temperature by the variational cluster approximation. The (π ,π ) Néel ordering is stable in a wide region of the phase diagram and almost completely veils the nonmagnetic Mott transition for the nonfrustrated case. However, (π ,π ) Néel ordering is severely suppressed by the frustration, and even with moderate frustrations the nonmagnetic Mott transition takes place in the range where the intradimer hoppings are larger than the intraplaquette hoppings.

  8. Strong-coupling perturbation theory for the two-dimensional Bose-Hubbard model in a magnetic field

    NASA Astrophysics Data System (ADS)

    Niemeyer, M.; Freericks, J. K.; Monien, H.

    1999-07-01

    The Bose-Hubbard model in an external magnetic field is investigated with strong-coupling perturbation theory. The lowest-order secular equation leads to the problem of a charged particle moving on a lattice in the presence of a magnetic field, which was first treated by Hofstadter. We present phase diagrams for the two-dimensional square and triangular lattices, showing a change in shape of the phase lobes away from the well-known power-law behavior in zero magnetic field. Some qualitative agreement with experimental work on Josephson-junction arrays is found for the insulating phase behavior at small fields.

  9. Steady-state phases and tunneling-induced instabilities in the driven dissipative Bose-Hubbard model.

    PubMed

    Le Boité, Alexandre; Orso, Giuliano; Ciuti, Cristiano

    2013-06-07

    We determine the steady-state phases of a driven-dissipative Bose-Hubbard model, describing, e.g., an array of coherently pumped nonlinear cavities with a finite photon lifetime. Within a mean-field master equation approach using exact quantum solutions for the one-site problem, we show that the system exhibits a tunneling-induced transition between monostable and bistable phases. We characterize the corresponding quantum correlations, highlighting the essential differences with respect to the equilibrium case. We also find collective excitations with a flat energy-momentum dispersion over the entire Brillouin zone that trigger modulational instabilities at specific wave vectors.

  10. Electrically controllable magnetic order in the bilayer Hubbard model on honeycomb lattice: A determinant quantum Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Sun, Jinhua; Xu, Dong-Hui; Zhou, Yi; Zhang, Fu-Chun

    2014-09-01

    In this paper, we use the determinant quantum Monte Carlo method to study the effect of the electric field on the magnetic order in a bilayer Hubbard model on a honeycomb lattice, in which only the direct interlayer hopping energy is included. Our results qualitatively support the layered antiferromagnetic, spin-density wave ground state found in the mean-field theory at the charge neutrality point. The obtained magnetic moments, however, are much smaller than what are estimated in the mean-field theory. As the electric field increases, the magnetic order parameter rapidly decreases.

  11. Standard model of the rare earths analyzed from the Hubbard I approximation

    NASA Astrophysics Data System (ADS)

    Locht, I. L. M.; Kvashnin, Y. O.; Rodrigues, D. C. M.; Pereiro, M.; Bergman, A.; Bergqvist, L.; Lichtenstein, A. I.; Katsnelson, M. I.; Delin, A.; Klautau, A. B.; Johansson, B.; Di Marco, I.; Eriksson, O.

    2016-08-01

    In this work we examine critically the electronic structure of the rare-earth elements by use of the so-called Hubbard I approximation. From the theoretical side all measured features of both occupied and unoccupied states are reproduced, without significant deviations between observations and theory. We also examine cohesive properties like the equilibrium volume and bulk modulus, where we find, in general, a good agreement between theory and measurements. In addition, we have reproduced the spin and orbital moments of these elements as they are reflected from measurements of the saturation moment. We have also employed the Hubbard I approximation to extract the interatomic exchange parameters of an effective spin Hamiltonian for the heavy rare earths. We show that the Hubbard I approximation gives results which are consistent with calculations where 4 f electrons are treated as core states for Gd. The latter approach was also used to address the series of the heavy/late rare earths. Via Monte Carlo simulations we obtained ordering temperatures which reproduce measurements within about 20 % . We have further illustrated the accuracy of these exchange parameters by comparing measured and calculated magnetic configurations for the heavy rare earths and the magnon dispersion for Gd. The Hubbard I approximation is compared to other theories of the electronic structure, and we argue that it is superior. We discuss the relevance of our results in general and how this makes it possible to treat the electronic structure of materials containing rare-earth elements, such as permanent magnets, magnetostrictive compounds, photovoltaics, optical fibers, topological insulators, and molecular magnets.

  12. Interplay between electron-phonon interaction and Hubbard repulsion: Bipolaron formation

    SciTech Connect

    Nath, S.; Mondal, N. S.; Ghosh, N. K.

    2015-06-24

    In the weak coupling limit, the 2D Hubbard model extended by on-site (local) and inter-site (long range) electron-phonon (EP) interaction has been investigated within Lanczos method of exact diagonalization (ED). On-site (S0) bipolaron formation has been favored by on-site EP interaction induced effective attraction between electrons. But, inter-site phonon mediated interaction between electrons helps to form both S0 and neighboring site (S1) bipolaron. It is further observed that both types of bipolaron formation are suppressed by on-site Hubbard repulsion.

  13. "Twisted" rational r-matrices and the algebraic Bethe ansatz: Applications to generalized Gaudin models, Bose-Hubbard dimers, and Jaynes-Cummings-Dicke-type models

    NASA Astrophysics Data System (ADS)

    Skrypnyk, T. V.

    2016-10-01

    We construct quantum integrable systems associated with the Lie algebra gl( n) and non-skew-symmetric "shifted and twisted" rational r-matrices. The obtained models include Gaudin-type models with and without an external magnetic field, n-level ( n-1)-mode Jaynes-Cummings-Dicke-type models in the Λ-configuration, a vector generalization of Bose-Hubbard dimers, etc. We diagonalize quantum Hamiltonians of the constructed integrable models using a nested Bethe ansatz.

  14. Towards Quantum Simulation of the 2D Fermi Hubbard Model - Development of a Local Probe of Density and Spin Ordering

    DTIC Science & Technology

    2013-10-24

    high-resolution imaging using this optical transition should be feasible. With ultracold rubidium -87, we observe a quantum phase transition between a...degenerate gases of both 87Rb and 40K in the apparatus described in §3.1. In March 2012, we observed our first Bose Einstein condensate (BEC) of rubidium in...sympathetically cooled in our apparatus. In the spring of 2012, we used cold rubidium to bring potassium to Fermi degeneracy in the magnetic trap. Sympathetic

  15. Le modele de Hubbard bidimensionnel a faible couplage: Thermodynamique et phenomenes critiques

    NASA Astrophysics Data System (ADS)

    Roy, Sebastien

    Une etude systematique du modele de Hubbard en deux dimensions a faible couplage a l'aide de la theorie Auto-Coherente a Deux Particules (ACDP) dans le diagramme temperature-dopage-interaction-sauts permet de mettre en evidence l'influence des fluctuations magnetiques sur les proprietes thermodynamiques du systeme electronique sur reseau. Le regime classique renormalise a temperature finie pres du dopage nul est marque par la grandeur de la longueur de correlation de spin comparee a la longueur thermique de de Broglie et est caracterisee par un accroissement drastique de la longueur de correlation de spin. Cette croissance exponentielle a dopage nul marque la presence d'un pic de chaleur specifique en fonction de la temperature a basse temperature. Une temperature de crossover est alors associee a la temperature a laquelle la longueur de correlation de spin est egale a la longueur thermique de de Broglie. C'est a cette temperature caracteristique, ou est observee l'ouverture du pseudogap dans le poids spectral, que se situe le maximum du pic de chaleur specifique. La presence de ce pic a des consequences sur l'evolution du potentiel chimique avec le dopage lorsque l'uniformite thermodynamique est respectee. Les contraintes imposees par les lois de la thermodynamique font en sorte que l'evolution du potentiel chimique avec le dopage est non triviale. On demontre entre autres que le potentiel chimique est proportionnel a la double occupation qui est reliee au moment local. Par ailleurs, une derivation de la fonction de mise a l'echelle de la susceptibilite de spin a frequence nulle au voisinage d'un point critique marque sans equivoque la presence d'un point critique quantique en dopage pour une valeur donnee de l'interaction. Ce point critique, associe a une transition de phase magnetique en fonction du dopage a temperature nulle, induit un comportement non trivial sur les proprietes physiques du systeme a temperature finie. L'approche quantitative ACDP permet de

  16. Transport and optical conductivity in the Hubbard model: A high-temperature expansion perspective

    NASA Astrophysics Data System (ADS)

    Perepelitsky, Edward; Galatas, Andrew; Mravlje, Jernej; Žitko, Rok; Khatami, Ehsan; Shastry, B. Sriram; Georges, Antoine

    2016-12-01

    We derive analytical expressions for the spectral moments of the dynamical response functions of the Hubbard model using the high-temperature series expansion. We consider generic dimension d as well as the infinite-d limit, arbitrary electron density n , and both finite and infinite repulsion U . We use moment-reconstruction methods to obtain the one-electron spectral function, the self-energy, and the optical conductivity. They are all smooth functions at high temperature and, at large U , they are featureless with characteristic widths of the order of the lattice hopping parameter t . In the infinite-d limit, we compare the series expansion results with accurate numerical renormalization group and interaction expansion quantum Monte Carlo results. We find excellent agreement down to surprisingly low temperatures, throughout most of the bad-metal regime, which applies for T ≳(1 -n )D , the Brinkman-Rice scale. The resistivity increases linearly in T at high temperature without saturation. This results from the 1 /T behavior of the compressibility or kinetic energy, which play the role of the effective carrier number. In contrast, the scattering time (or diffusion constant) saturates at high T . We find that σ (n ,T )≈(1 -n )σ (n =0 ,T ) to a very good approximation for all n , with σ (n =0 ,T )∝t /T at high temperatures. The saturation at small n occurs due to a compensation between the density dependence of the effective number of carriers and that of the scattering time. The T dependence of the resistivity displays a kneelike feature which signals a crossover to the intermediate-temperature regime where the diffusion constant (or scattering time) starts increasing with decreasing T . At high temperatures, the thermopower obeys the Heikes formula, while the Wiedemann-Franz law is violated with the Lorenz number vanishing as 1 /T2 . The relevance of our calculations to experiments probing high-temperature transport in materials with strong electronic

  17. Determinant quantum Monte Carlo study of the two-dimensional single-band Hubbard-Holstein model

    DOE PAGES

    Johnston, S.; Nowadnick, E. A.; Kung, Y. F.; ...

    2013-06-24

    Here, we performed numerical studies of the Hubbard-Holstein model in two dimensions using determinant quantum Monte Carlo (DQMC). We also present details of the method, emphasizing the treatment of the lattice degrees of freedom, and then study the filling and behavior of the fermion sign as a function of model parameters. We find a region of parameter space with large Holstein coupling where the fermion sign recovers despite large values of the Hubbard interaction. This indicates that studies of correlated polarons at finite carrier concentrations are likely accessible to DQMC simulations. We then restrict ourselves to the half-filled model andmore » examine the evolution of the antiferromagnetic structure factor, other metrics for antiferromagnetic and charge-density-wave order, and energetics of the electronic and lattice degrees of freedom as a function of electron-phonon coupling. From this we find further evidence for a competition between charge-density-wave and antiferromagnetic order at half- filling.« less

  18. The Implementation of C-ID, R2D2 Model on Learning Reading Comprehension

    ERIC Educational Resources Information Center

    Rayanto, Yudi Hari; Rusmawan, Putu Ngurah

    2016-01-01

    The purposes of this research are to find out, (1) whether C-ID, R2D2 model is effective to be implemented on learning Reading comprehension, (2) college students' activity during the implementation of C-ID, R2D2 model on learning Reading comprehension, and 3) college students' learning achievement during the implementation of C-ID, R2D2 model on…

  19. Analysis and resolution of the ground-state degeneracy of the two-component Bose-Hubbard model.

    PubMed

    Wang, Wei; Penna, Vittorio; Capogrosso-Sansone, Barbara

    2014-08-01

    We study the degeneracy of the ground-state energy E of the two-component Bose-Hubbard model and of the perturbative correction E(1). We show that the degeneracy properties of E and E(1) are closely related to the connectivity properties of the lattice. We determine general conditions under which E is nondegenerate. This analysis is then extended to investigate the degeneracy of E(1). In this case, in addition to the lattice structure, the degeneracy also depends on the number of particles present in the system. After identifying the cases in which E(1) is degenerate and observing that the standard (degenerate) perturbation theory is not applicable, we develop a method to determine the zeroth-order correction to the ground state by exploiting the symmetry properties of the lattice. This method is used to implement the perturbative approach to the two-component Bose-Hubbard model in the case of degenerate E(1) and is expected to be a valid tool to perturbatively study the asymmetric character of the Mott insulator to superfluid transition between the particle and hole side.

  20. Ultrafast Response of the Hubbard Model: Non-adiabatic TDDFT + DMFT versus Non-equilibrium DMFT Solution

    NASA Astrophysics Data System (ADS)

    Acharya, Shree Ram; Turkowski, Volodymyr; Rahman, Talat S.

    We study the ultrafast response of electrons in the one-band Hubbard model to an external laser-pulse perturbation by using the Non-adiabatic Time-Dependent Density Functional Theory + Dynamical Mean-Field Theory (TDDFT +DMFT) approach. The corresponding exchange-correlation kernel (XC) is obtained from the DMFT charge susceptibility by using the Quantum Monte Carlo solver for the impurity problem. Detailed analysis of the time-dependent excited charge density, the Fermi distribution function, and the spatially nonhomogeneous response (metallic domain growth), is performed for different values for the carrier density and local Coulomb repulsion. We compare the results with the corresponding non-equilibrium DMFT solutions, and demonstrate that non-adiabaticity (frequency-dependence) of the XC kernel is important in order to reproduce the non-equilibrium DMFT solution. Also, from the numerical results for the charge susceptibility, we obtain an approximate analytical expression for the XC kernel. Using this kernel, we reveal possible types of ''elementary'' excitations and the dynamics of metallic domain growth in the case of the one-band Hubbard model. Possible generalization of the approach to the multi-orbital case is discussed. Work supported in part by DOE Grant No. DOE-DE-FG02-07ER46354.

  1. Completeness of the classical 2D Ising model and universal quantum computation.

    PubMed

    Van den Nest, M; Dür, W; Briegel, H J

    2008-03-21

    We prove that the 2D Ising model is complete in the sense that the partition function of any classical q-state spin model (on an arbitrary graph) can be expressed as a special instance of the partition function of a 2D Ising model with complex inhomogeneous couplings and external fields. In the case where the original model is an Ising or Potts-type model, we find that the corresponding 2D square lattice requires only polynomially more spins with respect to the original one, and we give a constructive method to map such models to the 2D Ising model. For more general models the overhead in system size may be exponential. The results are established by connecting classical spin models with measurement-based quantum computation and invoking the universality of the 2D cluster states.

  2. Bethe-Salpeter eigenvalues and amplitudes for the half-filled two-dimensional Hubbard model

    SciTech Connect

    Bulut, N. ); Scalapino, D.J. ); White, S.R. )

    1993-06-01

    Monte Carlo simulations are used to determine the eigenvalues and eigenfunctions of the particle-hole and particle-particle Bethe-Salpeter equations for 8[times]8 half-filled Hubbard lattice with [ital U]/[ital t]=4 and [ital U]/[ital t]=8. In the particle-hole channel, the dominant eigenvalue corresponds to the [bold Q]=([pi],[pi]) antiferromagnetic correlations. In the particle-particle channel the amplitude of the leading low-temperature eigenvalue is an even-frequency [ital d][sub [ital x

  3. Thermalization rates in the one-dimensional Hubbard model with next-to-nearest neighbor hopping

    NASA Astrophysics Data System (ADS)

    Biebl, Fabian R. A.; Kehrein, Stefan

    2017-03-01

    We consider a fermionic Hubbard chain with an additional next-to-nearest neighbor hopping term. We study the thermalization rates of the quasimomentum distribution function within a quantum Boltzmann equation approach. We find that the thermalization rates are proportional to the square of the next-to-nearest neighbor hopping: Even weak next-to-nearest neighbor hopping in addition to nearest neighbor hopping leads to thermalization in a two-particle scattering quantum Boltzmann equation in one dimension. We also investigate the temperature dependence of the thermalization rates, which away from half filling become exponentially small for small temperature of the final thermalized distribution.

  4. Spiral magnetism in the single-band Hubbard model: the Hartree-Fock and slave-boson approaches

    NASA Astrophysics Data System (ADS)

    Igoshev, P. A.; Timirgazin, M. A.; Gilmutdinov, V. F.; Arzhnikov, A. K.; Irkhin, V. Yu

    2015-11-01

    The ground-state magnetic phase diagram is investigated within the single-band Hubbard model for square and different cubic lattices. The results of employing the generalized non-correlated mean-field (Hartree-Fock) approximation and generalized slave-boson approach by Kotliar and Ruckenstein with correlation effects included are compared. We take into account commensurate ferromagnetic, antiferromagnetic, and incommensurate (spiral) magnetic phases, as well as phase separation into magnetic phases of different types, which was often lacking in previous investigations. It is found that the spiral states and especially ferromagnetism are generally strongly suppressed up to non-realistically large Hubbard U by the correlation effects if nesting is absent and van Hove singularities are well away from the paramagnetic phase Fermi level. The magnetic phase separation plays an important role in the formation of magnetic states, the corresponding phase regions being especially wide in the vicinity of half-filling. The details of non-collinear and collinear magnetic ordering for different cubic lattices are discussed.

  5. Hubbard parameters for metallic Ce

    SciTech Connect

    Boring, A.M.; Albers, R.C.; Eriksson, O. ); Koelling, D.D. )

    1992-04-27

    We have obtained a phase diagram of the {alpha}{r arrow}{gamma} transition (moment formation) as a function of the {ital U} and {ital J} Kanamori Hubbard parameters. Overlap and hybridization terms are obtained by a tight-binding fit to first-principles band calculations. At the one-electron level we obtain no fundamental change in the interaction energies in going through the {alpha}{r arrow}{gamma} transition region. This is the first model to obtain self-consistent values for the Hubbard parameters in the solid state and they are in reasonable agreement with the experimentally derived values.

  6. An Implicit 2-D Shallow Water Flow Model on Unstructured Quadtree Rectangular Mesh

    DTIC Science & Technology

    2011-01-01

    Hanson, H.; Wamsley, T., and Zundel, A. K., 2006. Two-dimensional depth-averaged circulation model CMS- M2D : Version 3.0, Report 2: Sediment...Militello, A.; Reed, C.W.; Zundel, A.K. and Kraus, N.C., 2004. Two-dimensional depth-averaged circulation model M2D : Version 2.0, Report 1, Technical

  7. Improvement of a 2D numerical model of lava flows

    NASA Astrophysics Data System (ADS)

    Ishimine, Y.

    2013-12-01

    I propose an improved procedure that reduces an improper dependence of lava flow directions on the orientation of Digital Elevation Model (DEM) in two-dimensional simulations based on Ishihara et al. (in Lava Flows and Domes, Fink, JH eds., 1990). The numerical model for lava flow simulations proposed by Ishihara et al. (1990) is based on two-dimensional shallow water model combined with a constitutive equation for a Bingham fluid. It is simple but useful because it properly reproduces distributions of actual lava flows. Thus, it has been regarded as one of pioneer work of numerical simulations of lava flows and it is still now widely used in practical hazard prediction map for civil defense officials in Japan. However, the model include an improper dependence of lava flow directions on the orientation of DEM because the model separately assigns the condition for the lava flow to stop due to yield stress for each of two orthogonal axes of rectangular calculating grid based on DEM. This procedure brings a diamond-shaped distribution as shown in Fig. 1 when calculating a lava flow supplied from a point source on a virtual flat plane although the distribution should be circle-shaped. To improve the drawback, I proposed a modified procedure that uses the absolute value of yield stress derived from both components of two orthogonal directions of the slope steepness to assign the condition for lava flows to stop. This brings a better result as shown in Fig. 2. Fig. 1. (a) Contour plots calculated with the original model of Ishihara et al. (1990). (b) Contour plots calculated with a proposed model.

  8. Anomalous invasion in a 2d model of chemotactic predation

    NASA Astrophysics Data System (ADS)

    Willemsen, Jorge F.

    2010-09-01

    It has been hypothesized that plankton predators sense the presence of their prey through detection of chemical signals exuded by the prey. This process is formulated using elements of existing models, tailored to correspond to the specific process under investigation. The motivation for the resulting model is discussed in detail. Numerical results are then presented. It is found that the front representing the advance of the predator into the prey is irregular in a novel way, and the reasons for this anomalous invasion are discussed. It is recognized that reaction-diffusion models, starting perhaps with Turing, can lead to what might have been thought of as anomalous patterns - yet the “flicker” front advance discovered here is indeed novel.

  9. Mott transition and magnetism of the triangular-lattice Hubbard model with next-nearest-neighbor hopping

    NASA Astrophysics Data System (ADS)

    Misumi, Kazuma; Kaneko, Tatsuya; Ohta, Yukinori

    2017-02-01

    The variational cluster approximation is used to study the isotropic triangular-lattice Hubbard model at half filling, taking into account the nearest-neighbor (t1) and next-nearest-neighbor (t2) hopping parameters for magnetic frustrations. We determine the ground-state phase diagram of the model. In the strong-correlation regime, the 120∘ Néel- and stripe-ordered phases appear, and a nonmagnetic insulating phase emerges in between. In the intermediate correlation regime, the nonmagnetic insulating phase expands to a wider parameter region, which goes into a paramagnetic metallic phase in the weak-correlation regime. The critical phase boundary of the Mott metal-insulator transition is discussed in terms of the van Hove singularity evident in the calculated density of states and single-particle spectral function.

  10. Implementation of Minimal Representations in 2d Ising Model Calculations

    DTIC Science & Technology

    1992-05-01

    Re r’ u. 60:252-262.263-276. 1941. [Ons44] Lars Onsager . Crystal statistics I. A two-dimensional model with an order-disorder transition. Physical Re...ID lattices but the subject really came to life in 1944 when Onsager [Ons44] derived an exact closed form expression for the partition function (see

  11. Development of CCHE2D embankment break model

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Earthen embankment breach often results in detrimental impact on downstream residents and infrastructure, especially those located in the flooding zone. Embankment failures are most commonly caused by overtopping or internal erosion. This study is to develop a practical numerical model for simulat...

  12. A mathematical model for foreign body reactions in 2D

    PubMed Central

    Su, Jianzhong; Gonzales, Humberto Perez; Todorov, Michail; Kojouharov, Hristo; Tang, Liping

    2010-01-01

    The foreign body reactions are commonly referred to the network of immune and inflammatory reactions of human or animals to foreign objects placed in tissues. They are basic biological processes, and are also highly relevant to bioengineering applications in implants, as fibrotic tissue formations surrounding medical implants have been found to substantially reduce the effectiveness of devices. Despite of intensive research on determining the mechanisms governing such complex responses, few mechanistic mathematical models have been developed to study such foreign body reactions. This study focuses on a kinetics-based predictive tool in order to analyze outcomes of multiple interactive complex reactions of various cells/proteins and biochemical processes and to understand transient behavior during the entire period (up to several months). A computational model in two spatial dimensions is constructed to investigate the time dynamics as well as spatial variation of foreign body reaction kinetics. The simulation results have been consistent with experimental data and the model can facilitate quantitative insights for study of foreign body reaction process in general. PMID:21532988

  13. Predominance of the multimagnon incoherent component and minuteness of the zero-magnon coherent component in one-body Green's functions for half-filled Hubbard models

    NASA Astrophysics Data System (ADS)

    Tomita, Norikazu; Nasu, Keiichiro

    1999-09-01

    Weights of the multimagnon (incoherent) component and the zero-magnon (coherent) one in the Lehmann's spectral representation of the one-body Green's functions are determined for the one- and the two-dimensional half-filled Hubbard models. The one-body Green's functions with specific momenta are calculated by means of a quantum Monte Carlo simulation. To distinguish the coherent component from the incoherent one in this Lehmann's spectrum, a site-diagonal staggered potential Δ is artificially added to the Hubbard models. Due to this Δ, an energy gap opens in the magnon excitation, and as a result, the coherent component is clearly separated from the incoherent one. Systematic analysis on the Δ dependence of these two components shows that the weight of the coherent component is less than a few percent for each dimension in the limit of Δ-->0, which corresponds with the usual Hubbard model. This means that the incoherent component predominates the spectrum, while the coherent component makes only a minute contribution. In contrast to the widely accepted one-electron band picture, our calculations indicate that the so-called lower Hubbard band peak in the photoemission spectrum of the metal-oxide insulator originates mainly from this incoherent component. It does not correspond with the coherent one that reflects a one-electron state.

  14. Conservation laws and LETKF with 2D Shallow Water Model

    NASA Astrophysics Data System (ADS)

    Zeng, Yuefei; Janjic, Tijana

    2016-04-01

    Numerous approaches have been proposed to maintain physical conservation laws in the numerical weather prediction models. However, to achieve a reliable prediction, adequate initial conditions are also necessary, which are produced by a data assimilation algorithm. If an ensemble Kalman filters (EnKF) is used for this purpose, it has been shown that it could yield unphysical analysis ensemble that for example violates principles of mass conservation and positivity preservation (e.g. Janjic et al 2014) . In this presentation, we discuss the selection of conservation criteria for the analysis step, and start with testing the conservation of mass, energy and enstrophy. The simple experiments deal with nonlinear shallow water equations and simulated observations that are assimilated with LETKF (Localized Ensemble Transform Kalman Filter, Hunt et al. 2007). The model is discretized in a specific way to conserve mass, angular momentum, energy and enstrophy. The effects of the data assimilation on the conserved quantities (of mass, energy and enstrophy) depend on observation covarage, localization radius, observed variable and observation operator. Having in mind that Arakawa (1966) and Arakawa and Lamb (1977) showed that the conservation of both kinetic energy and enstrophy by momentum advection schemes in the case of nondivergent flow prevents systematic and unrealistic energy cascade towards high wave numbers, a cause of excessive numerical noise and possible eventual nonlinear instability, we test the effects on prediction depending on the type of errors in the initial condition. The performance with respect to nonlinear energy cascade is assessed as well.

  15. Incremental expansions for the ground-state energy of the two-dimensional Hubbard model

    SciTech Connect

    Malek, J.; Flach, S.; Kladko, K.

    1999-02-01

    A generalization of Faddeev{close_quote}s approach of the three-body problem to the many-body problem leads to the method of increments. This method was recently applied to account for the ground-state properties of Hubbard-Peierls chains [J. Malek, K. Kladko, and S. Flach, JETP Lett. {bold 67}, 1052 (1998)]. Here we generalize this approach to two-dimensional square lattices and explicitly treat the incremental expansion up to third order. Comparing our numerical results with various other approaches (Monte Carlo, cumulant approaches) we show that incremental expansions are very efficient because good accuracy with these approaches is achieved treating lattice segments composed of eight sites only. {copyright} {ital 1999} {ital The American Physical Society}

  16. Floquet Engineering of Correlated Tunneling in the Bose-Hubbard Model with Ultracold Atoms.

    PubMed

    Meinert, F; Mark, M J; Lauber, K; Daley, A J; Nägerl, H-C

    2016-05-20

    We report on the experimental implementation of tunable occupation-dependent tunneling in a Bose-Hubbard system of ultracold atoms via time-periodic modulation of the on-site interaction energy. The tunneling rate is inferred from a time-resolved measurement of the lattice site occupation after a quantum quench. We demonstrate coherent control of the tunneling dynamics in the correlated many-body system, including full suppression of tunneling as predicted within the framework of Floquet theory. We find that the tunneling rate explicitly depends on the atom number difference in neighboring lattice sites. Our results may open up ways to realize artificial gauge fields that feature density dependence with ultracold atoms.

  17. Floquet Engineering of Correlated Tunneling in the Bose-Hubbard Model with Ultracold Atoms

    NASA Astrophysics Data System (ADS)

    Meinert, F.; Mark, M. J.; Lauber, K.; Daley, A. J.; Nägerl, H.-C.

    2016-05-01

    We report on the experimental implementation of tunable occupation-dependent tunneling in a Bose-Hubbard system of ultracold atoms via time-periodic modulation of the on-site interaction energy. The tunneling rate is inferred from a time-resolved measurement of the lattice site occupation after a quantum quench. We demonstrate coherent control of the tunneling dynamics in the correlated many-body system, including full suppression of tunneling as predicted within the framework of Floquet theory. We find that the tunneling rate explicitly depends on the atom number difference in neighboring lattice sites. Our results may open up ways to realize artificial gauge fields that feature density dependence with ultracold atoms.

  18. Site-resolved measurement of the spin-correlation function in the Fermi-Hubbard model

    NASA Astrophysics Data System (ADS)

    Parsons, Maxwell F.; Mazurenko, Anton; Chiu, Christie S.; Ji, Geoffrey; Greif, Daniel; Greiner, Markus

    2016-09-01

    Exotic phases of matter can emerge from strong correlations in quantum many-body systems. Quantum gas microscopy affords the opportunity to study these correlations with unprecedented detail. Here, we report site-resolved observations of antiferromagnetic correlations in a two-dimensional, Hubbard-regime optical lattice and demonstrate the ability to measure the spin-correlation function over any distance. We measure the in situ distributions of the particle density and magnetic correlations, extract thermodynamic quantities from comparisons to theory, and observe statistically significant correlations over three lattice sites. The temperatures that we reach approach the limits of available numerical simulations. The direct access to many-body physics at the single-particle level demonstrated by our results will further our understanding of how the interplay of motion and magnetism gives rise to new states of matter.

  19. Simulation of subgrid orographic precipitation with an embedded 2-D cloud-resolving model

    NASA Astrophysics Data System (ADS)

    Jung, Joon-Hee; Arakawa, Akio

    2016-03-01

    By explicitly resolving cloud-scale processes with embedded two-dimensional (2-D) cloud-resolving models (CRMs), superparameterized global atmospheric models have successfully simulated various atmospheric events over a wide range of time scales. Up to now, however, such models have not included the effects of topography on the CRM grid scale. We have used both 3-D and 2-D CRMs to simulate the effects of topography with prescribed "large-scale" winds. The 3-D CRM is used as a benchmark. The results show that the mean precipitation can be simulated reasonably well by using a 2-D representation of topography as long as the statistics of the topography such as the mean and standard deviation are closely represented. It is also shown that the use of a set of two perpendicular 2-D grids can significantly reduce the error due to a 2-D representation of topography.

  20. Approaches to numerical solution of 2D Ising model

    NASA Astrophysics Data System (ADS)

    Soldatov, K. S.; Nefedev, K. V.; Kapitan, V. Yu; Andriushchenko, P. D.

    2016-08-01

    Parallel algorithm of partition function calculation of two-dimensional Ising model for systems with a finite number of spins was developed. Within a method of complete enumeration by using MPI technology with subsequent optimization of a parallel code time of calculations was reduced considerably. Partition function was calculated for systems of 16, 25, 36 Ising spins. Based on the obtained results, main thermodynamic and magnetic values dependences (such as heat capacity, magnetic susceptibility, mean square magnetization) for ferromagnetic and antiferromagnetic interactions was investigated. The analysis of a different configurations contribution showed, that states with the minimum energy have essential influence on dependences of thermodynamic values. Comparison with the results obtained by the Wang Landau algorithm was performed.

  1. A 2D model to design MHD induction pumps

    NASA Astrophysics Data System (ADS)

    Stieglitz, R.; Zeininger, J.

    2006-09-01

    Technical liquid metal systems accompanied by a thermal transfer of energy such as reactor systems, metallurgical processes, metal refinement, casting, etc., require a forced convection of the fluid. The increased temperatures and more often the environmental conditions as, e.g., in a nuclear environment, pumping principles are required, in which rotating parts are absent. Additionally, in many applications a controlled atmosphere is indispensable, in order to ensure the structural integrity of the duct walls. An interesting option to overcome the sealing problem of a mechanical pump towards the surrounding is offered by induction systems. Although their efficiency compared to that of turbo machines is quite low, they have several advantages, which are attractive to the specific requirements in liquid metal applications such as: - low maintenance costs due to the absence of sealings, bearings and moving parts; - low degradation rate of the structural material; - simple replacement of the inductor without cut of the piping system; - fine regulation of flow rate by different inductor connections; - change of pump characteristics without change of the mechanical set-up. Within the article, general design requirements of electromagnetic pumps (EMP) are elaborated. The design of two annular linear induction pumps operating with sodium and lead-bismuth are presented and the calculated pump characteristics and experimentally obtained data are compared. In this context, physical effects leading to deviations between the model and the real data are addressed. Finally, the main results are summarized. Tables 4, Figs 4, Refs 12.

  2. Superfluid density and quasi-long-range order in the one-dimensional disordered Bose-Hubbard model

    NASA Astrophysics Data System (ADS)

    Gerster, M.; Rizzi, M.; Tschirsich, F.; Silvi, P.; Fazio, R.; Montangero, S.

    2016-01-01

    We study the equilibrium properties of the one-dimensional disordered Bose-Hubbard model by means of a gauge-adaptive tree tensor network variational method suitable for systems with periodic boundary conditions. We compute the superfluid stiffness and superfluid correlations close to the superfluid to glass transition line, obtaining accurate locations of the critical points. By studying the statistics of the exponent of the power-law decay of the correlation, we determine the boundary between the superfluid region and the Bose glass phase in the regime of strong disorder and in the weakly interacting region, not explored numerically before. In the former case our simulations are in agreement with previous Monte Carlo calculations.

  3. Momentum structure of the self-energy and its parametrization for the two-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Pudleiner, P.; Schäfer, T.; Rost, D.; Li, G.; Held, K.; Blümer, N.

    2016-05-01

    We compute the self-energy for the half-filled Hubbard model on a square lattice using lattice quantum Monte Carlo simulations and the dynamical vertex approximation. The self-energy is strongly momentum-dependent, but it can be parametrized via the noninteracting energy-momentum dispersion ɛk, except for pseudogap features right at the Fermi edge. That is, it can be written as Σ (ɛk,ω ) , with two energylike parameters (ɛ , ω ) instead of three (kx, ky, and ω ). The self-energy has two rather broad and weakly dispersing high-energy features and a sharp ω =ɛk feature at high temperatures, which turns to ω =-ɛk at low temperatures. Altogether this yields a Z - and reversed-Z -like structure, respectively, for the imaginary part of Σ (ɛk,ω ) . We attribute the change of the low-energy structure to antiferromagnetic spin fluctuations.

  4. Triplet p + ip pairing correlations in the doped Kane-Mele-Hubbard model: A quantum Monte Carlo study

    DOE PAGES

    Ma, Tianxing; Lin, Hai-Qing; Gubernatis, James E.

    2015-09-01

    By using the constrained-phase quantum Monte Carlo method, we performed a systematic study of the pairing correlations in the ground state of the doped Kane-Mele-Hubbard model on a honeycomb lattice. We find that pairing correlations with d + id symmetry dominate close to half filling, but pairing correlations with p+ip symmetry dominate as hole doping moves the system below three-quarters filling. We correlate these behaviors of the pairing correlations with the topology of the Fermi surfaces of the non-interacting problem. We also find that the effective pairing correlation is enhanced greatly as the interaction increases, and these superconducting correlations aremore » robust against varying the spin-orbit coupling strength. Finally, our numerical results suggest a possible way to realize spin triplet superconductivity in doped honeycomb-like materials or ultracold atoms in optical traps.« less

  5. Measurement and modelling of magnetic properties of soft magnetic composite material under 2D vector magnetisations

    NASA Astrophysics Data System (ADS)

    Guo, Y. G.; Zhu, J. G.; Zhong, J. J.

    2006-07-01

    This paper reports the measurement and modelling of magnetic properties of SOMALOY TM 500, a soft magnetic composite (SMC) material, under different 2D vector magnetisations, such as alternating along one direction, circularly and elliptically rotating in a 2D plane. By using a 2D magnetic property tester, the B- H curves and core losses of the SMC material have been measured with different flux density patterns on a single sheet square sample. The measurements can provide useful information for modelling of the magnetic properties, such as core losses. The core loss models have been successfully applied in the design of rotating electrical machines with SMC core.

  6. Epitope spreading of the anti-CYP2D6 antibody response in patients with autoimmune hepatitis and in the CYP2D6 mouse model.

    PubMed

    Hintermann, Edith; Holdener, Martin; Bayer, Monika; Loges, Stephanie; Pfeilschifter, Josef M; Granier, Claude; Manns, Michael P; Christen, Urs

    2011-11-01

    Autoimmune hepatitis (AIH) is a serious chronic inflammatory disease of the liver with yet unknown etiology and largely uncertain immunopathology. The hallmark of type 2 AIH is the generation of liver kidney microsomal-1 (LKM-1) autoantibodies, which predominantly react to cytochrome P450 2D6 (CYP2D6). The identification of disease initiating factors has been hampered in the past, since antibody epitope mapping was mostly performed using serum samples collected late during disease resulting in the identification of immunodominant epitopes not necessarily representing those involved in disease initiation. In order to identify possible environmental triggers for AIH, we analyzed for the first time the spreading of the anti-CYP2D6 antibody response over a prolonged period of time in AIH patients and in the CYP2D6 mouse model, in which mice infected with Adenovirus-human CYP2D6 (Ad-h2D6) develop antibodies with a similar specificity than AIH patients. Epitope spreading was analyzed in six AIH-2-patients and in the CYP2D6 mouse model using SPOTs membranes containing peptides covering the entire CYP2D6 protein. Despite of a considerable variation, both mice and AIH patients largely focus their humoral immune response on an immunodominant epitope early after infection (mice) or diagnosis (patients). The CYP2D6 mouse model revealed that epitope spreading is initiated at the immunodominant epitope and later expands to neighboring and remote regions. Sequence homologies to human pathogens have been detected for all identified epitopes. Our study demonstrates that epitope spreading does indeed occur during the pathogenesis of AIH and supports the concept of molecular mimicry as a possible initiating mechanism for AIH.

  7. Probabilistic Cellular Automata for Low-Temperature 2-d Ising Model

    NASA Astrophysics Data System (ADS)

    Procacci, Aldo; Scoppola, Benedetto; Scoppola, Elisabetta

    2016-12-01

    We construct a parallel stochastic dynamics with invariant measure converging to the Gibbs measure of the 2-d low-temperature Ising model. The proof of such convergence requires a polymer expansion based on suitably defined Peierls-type contours.

  8. The immunoreceptor NKG2D promotes tumour growth in a model of hepatocellular carcinoma

    PubMed Central

    Sheppard, Sam; Guedes, Joana; Mroz, Anna; Zavitsanou, Anastasia-Maria; Kudo, Hiromi; Rothery, Stephen M.; Angelopoulos, Panagiotis; Goldin, Robert; Guerra, Nadia

    2017-01-01

    Inflammation is recognized as one of the drivers of cancer. Yet, the individual immune components that possess pro- and anti-tumorigenic functions in individual cancers remain largely unknown. NKG2D is a potent activating immunoreceptor that has emerged as an important player in inflammatory disorders besides its well-established function as tumour suppressor. Here, we provide genetic evidence of an unexpected tumour-promoting effect of NKG2D in a model of inflammation-driven liver cancer. Compared to NKG2D-deficient mice, NKG2D-sufficient mice display accelerated tumour growth associated with, an increased recruitment of memory CD8+T cells to the liver and exacerbated pro-inflammatory milieu. In addition, we show that NKG2D contributes to liver damage and consequent hepatocyte proliferation known to favour tumorigenesis. Thus, the NKG2D/NKG2D-ligand pathway provides an additional mechanism linking chronic inflammation to tumour development in hepatocellular carcinoma. Our findings expose the need to selectively target the types of cancer that could benefit from NKG2D-based immunotherapy. PMID:28128200

  9. GEO2D - Two-Dimensional Computer Model of a Ground Source Heat Pump System

    SciTech Connect

    James Menart

    2013-06-07

    This file contains a zipped file that contains many files required to run GEO2D. GEO2D is a computer code for simulating ground source heat pump (GSHP) systems in two-dimensions. GEO2D performs a detailed finite difference simulation of the heat transfer occurring within the working fluid, the tube wall, the grout, and the ground. Both horizontal and vertical wells can be simulated with this program, but it should be noted that the vertical wall is modeled as a single tube. This program also models the heat pump in conjunction with the heat transfer occurring. GEO2D simulates the heat pump and ground loop as a system. Many results are produced by GEO2D as a function of time and position, such as heat transfer rates, temperatures and heat pump performance. On top of this information from an economic comparison between the geothermal system simulated and a comparable air heat pump systems or a comparable gas, oil or propane heating systems with a vapor compression air conditioner. The version of GEO2D in the attached file has been coupled to the DOE heating and cooling load software called ENERGYPLUS. This is a great convenience for the user because heating and cooling loads are an input to GEO2D. GEO2D is a user friendly program that uses a graphical user interface for inputs and outputs. These make entering data simple and they produce many plotted results that are easy to understand. In order to run GEO2D access to MATLAB is required. If this program is not available on your computer you can download the program MCRInstaller.exe, the 64 bit version, from the MATLAB website or from this geothermal depository. This is a free download which will enable you to run GEO2D..

  10. CAST2D: A finite element computer code for casting process modeling

    SciTech Connect

    Shapiro, A.B.; Hallquist, J.O.

    1991-10-01

    CAST2D is a coupled thermal-stress finite element computer code for casting process modeling. This code can be used to predict the final shape and stress state of cast parts. CAST2D couples the heat transfer code TOPAZ2D and solid mechanics code NIKE2D. CAST2D has the following features in addition to all the features contained in the TOPAZ2D and NIKE2D codes: (1) a general purpose thermal-mechanical interface algorithm (i.e., slide line) that calculates the thermal contact resistance across the part-mold interface as a function of interface pressure and gap opening; (2) a new phase change algorithm, the delta function method, that is a robust method for materials undergoing isothermal phase change; (3) a constitutive model that transitions between fluid behavior and solid behavior, and accounts for material volume change on phase change; and (4) a modified plot file data base that allows plotting of thermal variables (e.g., temperature, heat flux) on the deformed geometry. Although the code is specialized for casting modeling, it can be used for other thermal stress problems (e.g., metal forming).

  11. Representativeness of 2D models to simulate 3D unstable variable density flow in porous media

    NASA Astrophysics Data System (ADS)

    Knorr, Bastian; Xie, Yueqing; Stumpp, Christine; Maloszewski, Piotr; Simmons, Craig T.

    2016-11-01

    Variable density flow in porous media has been studied primarily using numerical models because it is a semi-chaotic and transient process. Most of these studies have been 2D, owing to the computational restrictions on 3D simulations, and the ability to observe variable density flow in 2D experimentation. However, it is recognised that variable density flow is a three-dimensional process. A 3D system may cause weaker variable density flow than a 2D system due to stronger dispersion, but may also result in bigger fingers and hence stronger variable density flow because of more space for fingers to coalesce. This study aimed to determine the representativeness of 2D modelling to simulate 3D variable density flow. 3D homogeneous sand column experiments were conducted at three different water flow velocities with three different bromide tracer solutions mixed with methanol resulting in different density ratios. Both 2D axisymmetric and 3D numerical simulations were performed to reproduce experimental data. Experimental results showed that the magnitude of variable density flow increases with decreasing flow rates and decreasing density ratios. The shapes of the observed breakthrough curves differed significantly from those produced by 2D axisymmetric and 3D simulations. Compared to 2D simulations, the onset of instabilities was delayed but the growth was more pronounced in 3D simulations. Despite this difference, both 2D axisymmetric and 3D models successfully simulated mass recovery with high efficiency (between 77% and 99%). This study indicates that 2D simulations are sufficient to understand integrated features of variable density flow in homogeneous sand column experiments.

  12. New 2D diffraction model and its applications to terahertz parallel-plate waveguide power splitters

    NASA Astrophysics Data System (ADS)

    Zhang, Fan; Song, Kaijun; Fan, Yong

    2017-02-01

    A two-dimensional (2D) diffraction model for the calculation of the diffraction field in 2D space and its applications to terahertz parallel-plate waveguide power splitters are proposed in this paper. Compared with the Huygens-Fresnel principle in three-dimensional (3D) space, the proposed model provides an approximate analytical expression to calculate the diffraction field in 2D space. The diffraction filed is regarded as the superposition integral in 2D space. The calculated results obtained from the proposed diffraction model agree well with the ones by software HFSS based on the element method (FEM). Based on the proposed 2D diffraction model, two parallel-plate waveguide power splitters are presented. The splitters consist of a transmitting horn antenna, reflectors, and a receiving antenna array. The reflector is cylindrical parabolic with superimposed surface relief to efficiently couple the transmitted wave into the receiving antenna array. The reflector is applied as computer-generated holograms to match the transformed field to the receiving antenna aperture field. The power splitters were optimized by a modified real-coded genetic algorithm. The computed results of the splitters agreed well with the ones obtained by software HFSS verify the novel design method for power splitter, which shows good applied prospects of the proposed 2D diffraction model.

  13. New 2D diffraction model and its applications to terahertz parallel-plate waveguide power splitters

    PubMed Central

    Zhang, Fan; Song, Kaijun; Fan, Yong

    2017-01-01

    A two-dimensional (2D) diffraction model for the calculation of the diffraction field in 2D space and its applications to terahertz parallel-plate waveguide power splitters are proposed in this paper. Compared with the Huygens-Fresnel principle in three-dimensional (3D) space, the proposed model provides an approximate analytical expression to calculate the diffraction field in 2D space. The diffraction filed is regarded as the superposition integral in 2D space. The calculated results obtained from the proposed diffraction model agree well with the ones by software HFSS based on the element method (FEM). Based on the proposed 2D diffraction model, two parallel-plate waveguide power splitters are presented. The splitters consist of a transmitting horn antenna, reflectors, and a receiving antenna array. The reflector is cylindrical parabolic with superimposed surface relief to efficiently couple the transmitted wave into the receiving antenna array. The reflector is applied as computer-generated holograms to match the transformed field to the receiving antenna aperture field. The power splitters were optimized by a modified real-coded genetic algorithm. The computed results of the splitters agreed well with the ones obtained by software HFSS verify the novel design method for power splitter, which shows good applied prospects of the proposed 2D diffraction model. PMID:28181514

  14. New 2D diffraction model and its applications to terahertz parallel-plate waveguide power splitters.

    PubMed

    Zhang, Fan; Song, Kaijun; Fan, Yong

    2017-02-09

    A two-dimensional (2D) diffraction model for the calculation of the diffraction field in 2D space and its applications to terahertz parallel-plate waveguide power splitters are proposed in this paper. Compared with the Huygens-Fresnel principle in three-dimensional (3D) space, the proposed model provides an approximate analytical expression to calculate the diffraction field in 2D space. The diffraction filed is regarded as the superposition integral in 2D space. The calculated results obtained from the proposed diffraction model agree well with the ones by software HFSS based on the element method (FEM). Based on the proposed 2D diffraction model, two parallel-plate waveguide power splitters are presented. The splitters consist of a transmitting horn antenna, reflectors, and a receiving antenna array. The reflector is cylindrical parabolic with superimposed surface relief to efficiently couple the transmitted wave into the receiving antenna array. The reflector is applied as computer-generated holograms to match the transformed field to the receiving antenna aperture field. The power splitters were optimized by a modified real-coded genetic algorithm. The computed results of the splitters agreed well with the ones obtained by software HFSS verify the novel design method for power splitter, which shows good applied prospects of the proposed 2D diffraction model.

  15. A 2D spring model for the simulation of ultrasonic wave propagation in nonlinear hysteretic media.

    PubMed

    Delsanto, P P; Gliozzi, A S; Hirsekorn, M; Nobili, M

    2006-07-01

    A two-dimensional (2D) approach to the simulation of ultrasonic wave propagation in nonclassical nonlinear (NCNL) media is presented. The approach represents the extension to 2D of a previously proposed one dimensional (1D) Spring Model, with the inclusion of a PM space treatment of the intersticial regions between grains. The extension to 2D is of great practical relevance for its potential applications in the field of quantitative nondestructive evaluation and material characterization, but it is also useful, from a theoretical point of view, to gain a better insight of the interaction mechanisms involved. The model is tested by means of virtual 2D experiments. The expected NCNL behaviors are qualitatively well reproduced.

  16. Orbital-selective Mott phases of a one-dimensional three-orbital Hubbard model studied using computational techniques

    DOE PAGES

    Liu, Guangkun; Kaushal, Nitin; Liu, Shaozhi; ...

    2016-06-24

    A recently introduced one-dimensional three-orbital Hubbard model displays orbital-selective Mott phases with exotic spin arrangements such as spin block states [J. Rincón et al., Phys. Rev. Lett. 112, 106405 (2014)]. In this paper we show that the constrained-path quantum Monte Carlo (CPQMC) technique can accurately reproduce the phase diagram of this multiorbital one-dimensional model, paving the way to future CPQMC studies in systems with more challenging geometries, such as ladders and planes. The success of this approach relies on using the Hartree-Fock technique to prepare the trial states needed in CPQMC. In addition, we study a simplified version of themore » model where the pair-hopping term is neglected and the Hund coupling is restricted to its Ising component. The corresponding phase diagrams are shown to be only mildly affected by the absence of these technically difficult-to-implement terms. This is confirmed by additional density matrix renormalization group and determinant quantum Monte Carlo calculations carried out for the same simplified model, with the latter displaying only mild fermion sign problems. Lastly, we conclude that these methods are able to capture quantitatively the rich physics of the several orbital-selective Mott phases (OSMP) displayed by this model, thus enabling computational studies of the OSMP regime in higher dimensions, beyond static or dynamic mean-field approximations.« less

  17. Magnetic susceptibility of alkali-tetracyanoquinodimethane salts and extended Hubbard models with bond order and charge density wave phases.

    PubMed

    Kumar, Manoranjan; Topham, Benjamin J; Yu, RuiHui; Ha, Quoc Binh Dang; Soos, Zoltán G

    2011-06-21

    The molar spin susceptibilities χ(T) of Na-tetracyanoquinodimethane (TCNQ), K-TCNQ, and Rb-TCNQ(II) are fit quantitatively to 450 K in terms of half-filled bands of three one-dimensional Hubbard models with extended interactions using exact results for finite systems. All three models have bond order wave (BOW) and charge density wave (CDW) phases with boundary V = V(c)(U) for nearest-neighbor interaction V and on-site repulsion U. At high T, all three salts have regular stacks of TCNQ(-) anion radicals. The χ(T) fits place Na and K in the CDW phase and Rb(II) in the BOW phase with V ≈ V(c). The Na and K salts have dimerized stacks at T < T(d) while Rb(II) has regular stacks at 100 K. The χ(T) analysis extends to dimerized stacks and to dimerization fluctuations in Rb(II). The three models yield consistent values of U, V, and transfer integrals t for closely related TCNQ(-) stacks. Model parameters based on χ(T) are smaller than those from optical data that in turn are considerably reduced by electronic polarization from quantum chemical calculation of U, V, and t of adjacent TCNQ(-) ions. The χ(T) analysis shows that fully relaxed states have reduced model parameters compared to optical or vibration spectra of dimerized or regular TCNQ(-) stacks.

  18. Orbital-selective Mott phases of a one-dimensional three-orbital Hubbard model studied using computational techniques

    SciTech Connect

    Liu, Guangkun; Kaushal, Nitin; Liu, Shaozhi; Bishop, Christopher B.; Wang, Yan; Johnston, Steve; Alvarez, Gonzalo; Moreo, Adriana; Dagotto, Elbio R.

    2016-06-24

    A recently introduced one-dimensional three-orbital Hubbard model displays orbital-selective Mott phases with exotic spin arrangements such as spin block states [J. Rincón et al., Phys. Rev. Lett. 112, 106405 (2014)]. In this paper we show that the constrained-path quantum Monte Carlo (CPQMC) technique can accurately reproduce the phase diagram of this multiorbital one-dimensional model, paving the way to future CPQMC studies in systems with more challenging geometries, such as ladders and planes. The success of this approach relies on using the Hartree-Fock technique to prepare the trial states needed in CPQMC. In addition, we study a simplified version of the model where the pair-hopping term is neglected and the Hund coupling is restricted to its Ising component. The corresponding phase diagrams are shown to be only mildly affected by the absence of these technically difficult-to-implement terms. This is confirmed by additional density matrix renormalization group and determinant quantum Monte Carlo calculations carried out for the same simplified model, with the latter displaying only mild fermion sign problems. Lastly, we conclude that these methods are able to capture quantitatively the rich physics of the several orbital-selective Mott phases (OSMP) displayed by this model, thus enabling computational studies of the OSMP regime in higher dimensions, beyond static or dynamic mean-field approximations.

  19. Magnetic state of K0.8Fe1.6Se2 from a five-orbital Hubbard model in the Hartree-Fock approximation

    SciTech Connect

    Luo, Qinlong; Nicholson, Andrew D; Riera, J. A.; Yao, Dao-Xin; Moreo, Adriana; Dagotto, Elbio R

    2011-01-01

    Motivated by the recent discovery of Fe-based superconductors close to an antiferromagnetic insulator in the experimental phase diagram, here the five-orbital Hubbard model (without lattice distortions) is studied using the real-space Hartree-Fock approximation, employing a 10 10 Fe cluster with Fe vacancies in a5 5 pattern. Varying the Hubbard and Hund couplings, and at electronic density n = 6.0, the phase diagram contains an insulating state with the same spin pattern as observed experimentally, involving 2 2 ferromagnetic plaquettes coupled with one another antiferromagnetically. The presence of local ferromagnetic tendencies is in qualitative agreement with Lanczos results for the three-orbital model also reported here. The magnetic moment 3 B /Fe is in good agreement with experiments. Several other phases are also stabilized in the phase diagram, in agreement with recent calculations using phenomenological models.

  20. Multi-Scale Modeling, Design Strategies and Physical Properties of 2D Composite Sheets

    DTIC Science & Technology

    2015-01-15

    of Pennsylvania. The breakthrough results obtained are 1) prediction and subsequent experimental observation of strain induced changes in electronic...structure of TMD materials 2) Prediction and experimental observation of using defects in 2D materials to enhance charge storage capacity and 3...221 Philadelphia , PA 19104 -6205 4-Mar-2014 ABSTRACT Final Report: 9.4: Multi-scale modeling, design strategies and physical properties of 2D

  1. Analysis of vegetation effect on waves using a vertical 2-D RANS model

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A vertical two-dimensional (2-D) model has been applied in the simulation of wave propagation through vegetated water bodies. The model is based on an existing model SOLA-VOF which solves the Reynolds-Averaged Navier-Stokes (RANS) equations with the finite difference method on a staggered rectangula...

  2. Simulation of Cardiac Arrhythmias Using a 2D Heterogeneous Whole Heart Model

    PubMed Central

    Balakrishnan, Minimol; Chakravarthy, V. Srinivasa; Guhathakurta, Soma

    2015-01-01

    Simulation studies of cardiac arrhythmias at the whole heart level with electrocardiogram (ECG) gives an understanding of how the underlying cell and tissue level changes manifest as rhythm disturbances in the ECG. We present a 2D whole heart model (WHM2D) which can accommodate variations at the cellular level and can generate the ECG waveform. It is shown that, by varying cellular-level parameters like the gap junction conductance (GJC), excitability, action potential duration (APD) and frequency of oscillations of the auto-rhythmic cell in WHM2D a large variety of cardiac arrhythmias can be generated including sinus tachycardia, sinus bradycardia, sinus arrhythmia, sinus pause, junctional rhythm, Wolf Parkinson White syndrome and all types of AV conduction blocks. WHM2D includes key components of the electrical conduction system of the heart like the SA (Sino atrial) node cells, fast conducting intranodal pathways, slow conducting atriovenctricular (AV) node, bundle of His cells, Purkinje network, atrial, and ventricular myocardial cells. SA nodal cells, AV nodal cells, bundle of His cells, and Purkinje cells are represented by the Fitzhugh-Nagumo (FN) model which is a reduced model of the Hodgkin-Huxley neuron model. The atrial and ventricular myocardial cells are modeled by the Aliev-Panfilov (AP) two-variable model proposed for cardiac excitation. WHM2D can prove to be a valuable clinical tool for understanding cardiac arrhythmias. PMID:26733873

  3. Simulation of Cardiac Arrhythmias Using a 2D Heterogeneous Whole Heart Model.

    PubMed

    Balakrishnan, Minimol; Chakravarthy, V Srinivasa; Guhathakurta, Soma

    2015-01-01

    Simulation studies of cardiac arrhythmias at the whole heart level with electrocardiogram (ECG) gives an understanding of how the underlying cell and tissue level changes manifest as rhythm disturbances in the ECG. We present a 2D whole heart model (WHM2D) which can accommodate variations at the cellular level and can generate the ECG waveform. It is shown that, by varying cellular-level parameters like the gap junction conductance (GJC), excitability, action potential duration (APD) and frequency of oscillations of the auto-rhythmic cell in WHM2D a large variety of cardiac arrhythmias can be generated including sinus tachycardia, sinus bradycardia, sinus arrhythmia, sinus pause, junctional rhythm, Wolf Parkinson White syndrome and all types of AV conduction blocks. WHM2D includes key components of the electrical conduction system of the heart like the SA (Sino atrial) node cells, fast conducting intranodal pathways, slow conducting atriovenctricular (AV) node, bundle of His cells, Purkinje network, atrial, and ventricular myocardial cells. SA nodal cells, AV nodal cells, bundle of His cells, and Purkinje cells are represented by the Fitzhugh-Nagumo (FN) model which is a reduced model of the Hodgkin-Huxley neuron model. The atrial and ventricular myocardial cells are modeled by the Aliev-Panfilov (AP) two-variable model proposed for cardiac excitation. WHM2D can prove to be a valuable clinical tool for understanding cardiac arrhythmias.

  4. Magnetic Fluctuations in a Charge-Ordered State of the One-Dimensional Extended Hubbard Model with a Half-Filled Band

    NASA Astrophysics Data System (ADS)

    Yoshioka, Hideo

    2002-08-01

    Magnetic properties in a charge-ordered state are examined for the extended Hubbard model at half-filling. Magnetic excitations, magnetic susceptibilities and a nuclear spin relaxation rate are calculated with taking account of fluctuations around the mean-field solution. The relevance of the present results to the observation in the 1:1 organic conductors, (TTM-TTP)I3, is discussed.

  5. MODELING THE TRANSVERSE THERMAL CONDUCTIVITY OF 2D-SICF/SIC COMPOSITES

    SciTech Connect

    Youngblood, Gerald E.; Senor, David J.; Jones, Russell H.

    2002-09-01

    A hierarchical model was developed to describe the effective transverse thermal conductivity, K effective, of a 2D-SiC/SiC composite made from stacked and infiltrated woven fabric layers in terms of constituent properties and microstructural and architectural variables. The model includes the expected effects of fiber-matrix interfacial conductance as well as the effects of high fiber packing fractions within individual tows and the non-uniform nature of 2D-fabric layers that include a significant amount of interlayer porosity. Model predictions were obtained for two versions of DuPont 2D-Hi Nicalon(Trademark)/PyC/ICVI-SiC composite, one with a thin (0.110 micron) and the other with a thick (1.040 micron) PyC fiber coating. The model predicts that the matrix porosity content and porosity shape factor have a major influence on K effective(T) for such a composite.

  6. Seepage and Piping through Levees and Dikes using 2D and 3D Modeling Codes

    DTIC Science & Technology

    2016-06-01

    Modeling Codes Co as ta l a nd H yd ra ul ic s La bo ra to ry Hwai-Ping Cheng, Stephen M. England, and Clarissa M. Murray June 2016...Flood & Coastal Storm Damage Reduction Program ERDC/CHL TR-16-6 June 2016 Seepage and Piping through Levees and Dikes Using 2D and 3D Modeling Codes ...TYPE Final Report 3. DATES COVERED (From - To) 4. TITLE AND SUBTITLE Seepage and Piping through Levees and Dikes using 2D and 3D Modeling Codes

  7. Nonlinear transport in an out-of-equilibrium single-site Bose-Hubbard model: Scaling, rectification, and time dynamics

    NASA Astrophysics Data System (ADS)

    Purkayastha, Archak; Dhar, Abhishek; Kulkarni, Manas

    2016-11-01

    Recent experiments in hybrid-quantum systems facilitate the potential realization of one of the most fundamental interacting Hamiltonian-reservoir systems, namely the single-site Bose-Hubbard model coupled to two reservoirs at different temperatures. Using Redfield equations in a Born-Markov approximation, we compute nonequilibrium average particle number, energy, and currents beyond linear response regime, both time dynamics and steady state, and investigate its dependence on various tunable parameters analytically. We find interesting scaling laws in high-temperature regimes that are independent of choice of bath spectral functions. We also demonstrate that the system shows very interesting particle and energy current rectification properties which can be controlled via the relative strength of interaction and temperatures, as well as via the degree of asymmetry in system-bath coupling. Specifically, we find inversion of direction of energy rectification as a function of the relative strength of the interaction strength and the temperatures. We also show that, in the limit of low-temperature and high interaction strength, our results are consistent with the nonequilibrium spin-Boson model. Our results are experimentally relevant not only to hybrid quantum systems but also in other areas such as molecular junctions.

  8. Ground-state properties of the one-dimensional attractive Hubbard model with confinement: A comparative study

    NASA Astrophysics Data System (ADS)

    Hu, Ji-Hong; Wang, Jing-Jing; Xianlong, Gao; Okumura, Masahiko; Igarashi, Ryo; Yamada, Susumu; Machida, Masahiko

    2010-07-01

    We revisit the one-dimensional attractive Hubbard model by using the Bethe-ansatz-based density-functional theory and density-matrix renormalization method. The ground-state properties of this model are discussed in details for different fillings and different confining conditions in weak-to-intermediate coupling regime. We investigate the ground-state energy, energy gap, and pair-binding energy and compare them with those calculated from the canonical Bardeen-Cooper-Schrieffer approximation. We find that the Bethe-ansatz-based density-functional theory is computationally easy and yields an accurate description of the ground-state properties for weak-to-intermediate interaction strength, different fillings, and confinements. In order to characterize the quantum phase transition in the presence of a harmonic confinement, we calculate the thermodynamic stiffness, the density-functional fidelity, and fidelity susceptibility, respectively. It is shown that with the increase in the number of particles or attractive interaction strength, the system can be driven from the Luther-Emery-type phase to the composite phase of Luther-Emery-type in the wings and insulatinglike in the center.

  9. Doping-driven orbital-selective Mott transition in multi-band Hubbard models with crystal field splitting

    NASA Astrophysics Data System (ADS)

    Yilin, Wang; Li, Huang; Liang, Du; Xi, Dai

    2016-03-01

    We have studied the doping-driven orbital-selective Mott transition in multi-band Hubbard models with equal band width in the presence of crystal field splitting. Crystal field splitting lifts one of the bands while leaving the others degenerate. We use single-site dynamical mean-field theory combined with continuous time quantum Monte Carlo impurity solver to calculate a phase diagram as a function of total electron filling N and crystal field splitting Δ. We find a large region of orbital-selective Mott phase in the phase diagram when the doping is large enough. Further analysis indicates that the large region of orbital-selective Mott phase is driven and stabilized by doping. Such models may account for the orbital-selective Mott transition in some doped realistic strongly correlated materials. Project supported by the National Natural Science Foundation of China (Grant No. 2011CBA00108) and the National Basic Research Program of China (Grant No. 2013CB921700).

  10. A simple 2-D inundation model for incorporating flood damage in urban drainage planning

    NASA Astrophysics Data System (ADS)

    Pathirana, A.; Tsegaye, S.; Gersonius, B.; Vairavamoorthy, K.

    2011-08-01

    An urban inundation model was developed and coupled with 1-D drainage network model (EPA-SWMM5). The objective was to achieve a 1-D/2-D coupled model that is simple and fast enough to be consistently used in planning stages of urban drainage projects. The 2-D inundation model is based on a non-standard simplification of the shallow water equation, lays between diffusion-wave and full dynamic models. Simplifications were made in the process representation and numerical solving mechanisms and a depth scaled Manning coefficient was introduced to achieve stability in the cell wetting-drying process. The 2-D model is coupled with SWMM for simulation of both network flow and surcharge induced inundation. The coupling is archived by mass transfer from the network system to the 2-D system. A damage calculation block is integrated within the model code for assessing flood damage costs in optimal planning of urban drainage networks. The model is stable in dealing with complex flow conditions, and cell wetting/drying processes, as demonstrated by a number of idealised experiments. The model application is demonstrated by applying to a case study in Brazil.

  11. Dynamical properties of the one-dimensional spin-1/2 Bose-Hubbard model near a Mott-insulator to ferromagnetic-liquid transition.

    PubMed

    Zvonarev, M B; Cheianov, V V; Giamarchi, T

    2009-09-11

    We investigate the dynamics of the one-dimensional strongly repulsive spin-1/2 Bose-Hubbard model for filling nu Hubbard-Mott insulator exhibiting dynamical properties of the Heisenberg ferromagnet, at nu<1 it is a ferromagnetic liquid with complex spin dynamics. We find that close to the insulator-liquid transition the system admits for a complete separation of spin and density degrees of freedom valid at all energy and momentum scales within the t-J approximation. This allows us to derive the propagator of transverse spin waves and the shape of the magnon peak in the dynamic spin structure factor.

  12. 2-D magnetotelluric modeling using finite element method incorporating unstructured quadrilateral elements

    NASA Astrophysics Data System (ADS)

    Sarakorn, Weerachai

    2017-04-01

    In this research, the finite element (FE) method incorporating quadrilateral elements for solving 2-D MT modeling was presented. The finite element software was developed, employing a paving algorithm to generate the unstructured quadrilateral mesh. The accuracy, efficiency, reliability, and flexibility of our FE forward modeling are presented, compared and discussed. The numerical results indicate that our FE codes using an unstructured quadrilateral mesh provide good accuracy when the local mesh refinement is applied around sites and in the area of interest, with superior results when compared to other FE methods. The reliability of the developed codes was also confirmed when comparing both analytical solutions and COMMEMI2D model. Furthermore, our developed FE codes incorporating an unstructured quadrilateral mesh showed useful and powerful features such as handling irregular and complex subregions and providing local refinement of the mesh for a 2-D domain as closely as unstructured triangular mesh but it requires less number of elements in a mesh.

  13. On Limits of Embedding in 3D Images Based on 2D Watson's Model

    NASA Astrophysics Data System (ADS)

    Kavehvash, Zahra; Ghaemmaghami, Shahrokh

    We extend the Watson image quality metric to 3D images through the concept of integral imaging. In the Watson's model, perceptual thresholds for changes to the DCT coefficients of a 2D image are given for information hiding. These thresholds are estimated in a way that the resulting distortion in the 2D image remains undetectable by the human eyes. In this paper, the same perceptual thresholds are estimated for a 3D scene in the integral imaging method. These thresholds are obtained based on the Watson's model using the relation between 2D elemental images and resulting 3D image. The proposed model is evaluated through subjective tests in a typical image steganography scheme.

  14. Modeling Tear Film Dynamics on a 2-D Eye-shaped Domain

    NASA Astrophysics Data System (ADS)

    Li, Longfei; Braun, Richard; Maki, Kara; Henshaw, William

    2012-11-01

    We study tear film dynamics on a 2-D eye-shaped domain using a lubrication model. Time dependent flux boundary conditions that model the lacrimal gland tear supply and punctal drainage are imposed. We solved the model equations with Overture computational framework. Results reveals our model captures the hydraulic connectivity and other key physics of human tear film observed in vivo. Comparisons are made with existing models and experiments. Should time permit, osmolarity dynamics (salt ion concentration) will be included.

  15. Integrated Navigation, Guidance, and Control of Missile Systems: 2-D Dynamic Models

    DTIC Science & Technology

    2012-05-01

    Plane Simulation Model Block Diagram .......................................................... 21 Figure A.1. Aerodynamic variables for a missile ...Figure A.1. Aerodynamic variables for a missile Page classification: UNCLASSIFIED DEFENCE SCIENCE AND TECHNOLOGY ORGANISATION DOCUMENT...UNCLASSIFIED Integrated Navigation, Guidance, and Control of Missile Systems: 2-D Dynamic Models Farhan A. Faruqi Weapons

  16. Evaluation of 2D shallow-water model for spillway flow with a complex geometry

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Although the two-dimensional (2D) shallow water model is formulated based on several assumptions such as hydrostatic pressure distribution and vertical velocity is negligible, as a simple alternative to the complex 3D model, it has been used to compute water flows in which these assumptions may be ...

  17. Magnetic phase diagram of a five-orbital Hubbard model in the real-space Hartree-Fock approximation varying the electronic density

    NASA Astrophysics Data System (ADS)

    Luo, Qinlong; Dagotto, Elbio

    2014-01-01

    Using the real-space Hartree-Fock approximation, the magnetic phase diagram of a five-orbital Hubbard model for the iron-based superconductors is studied varying the electronic density n in the range from five to seven electrons per transition metal atom. The Hubbard interaction U is also varied, at a fixed Hund coupling J /U=0.25. Several qualitative trends and a variety of competing magnetic states are observed. At n =5, a robust G-type antiferromagnetic insulator is found, in agreement with experimental results for BaMn2As2. As n increases away from 5, magnetic states with an increasing number of nearest-neighbors ferromagnetic links become energetically stable. This includes the well-known C-type antiferromagnetic state at n =6, the E-phase known to exist in FeTe, and also a variety of novel states not found yet experimentally, some of them involving blocks of ferromagnetically oriented spins. Regions of phase separation, as in Mn oxides, have also been detected. Comparison to previous theoretical investigations indicate that these qualitative trends may be generic characteristics of phase diagrams of multi-orbital Hubbard models.

  18. Particle-particle response function as a probe for electronic correlations in the p-d Hubbard model

    SciTech Connect

    Ugenti, S.; Cini, M.; Perfetto, E.; Stefanucci, G.; Seibold, G.; Lorenzana, J.

    2010-08-15

    We discuss and compare different approximations to the particle-particle response function in the p-d (three-band) Hubbard model for the CuO{sub 2} plane of superconducting cuprates. Besides the relevance for understanding the role of correlations in high-T{sub c} superconductors, the interest in the CuO{sub 2} plane is due to the presence of three incompletely filled valence bands. The bare ladder approximation (BLA) was employed long ago in the context of Auger core-valence-valence spectroscopy of late transition metals while the time-dependent (TD) Gutzwiller approximation (GA) is a much more sophisticated and recent development. The validity of both is assessed by comparing with exact-diagonalization results from a finite six-site cluster. We find that for standard parameter sets TDGA and BLA yield two-hole spectra in excellent agreement with the exact ones. Although the interaction is comparable to the kinetic energy, the system is far from the extreme Mott limit often assumed in cuprates, where the Mott insulating character is completely local. In order to identify possible fingerprints of the extreme Mott regime we artificially reduce the bandwidth. We find that the BLA breaks down while the TDGA keeps near the exact results. Our findings provide a simple criterion to identify doped and undoped extreme Mott insulators.

  19. Full self-consistency versus quasiparticle self-consistency in diagrammatic approaches: Exactly solvable two-site Hubbard model

    DOE PAGES

    Kutepov, A. L.

    2015-07-22

    Self-consistent solutions of Hedin's equations (HE) for the two-site Hubbard model (HM) have been studied. They have been found for three-point vertices of increasing complexity (Γ = 1 (GW approximation), Γ₁ from the first-order perturbation theory, and the exact vertex ΓE). Comparison is made between the cases when an additional quasiparticle (QP) approximation for Green's functions is applied during the self-consistent iterative solving of HE and when QP approximation is not applied. Results obtained with the exact vertex are directly related to the present open question—which approximation is more advantageous for future implementations, GW + DMFT or QPGW + DMFT.more » It is shown that in a regime of strong correlations only the originally proposed GW + DMFT scheme is able to provide reliable results. Vertex corrections based on Perturbation Theory systematically improve the GW results when full self-consistency is applied. The application of QP self-consistency combined with PT vertex corrections shows similar problems to the case when the exact vertex is applied combined with QP sc. An analysis of Ward Identity violation is performed for all studied in this work's approximations and its relation to the general accuracy of the schemes used is provided.« less

  20. Full self-consistency versus quasiparticle self-consistency in diagrammatic approaches: Exactly solvable two-site Hubbard model

    SciTech Connect

    Kutepov, A. L.

    2015-07-22

    Self-consistent solutions of Hedin's equations (HE) for the two-site Hubbard model (HM) have been studied. They have been found for three-point vertices of increasing complexity (Γ = 1 (GW approximation), Γ₁ from the first-order perturbation theory, and the exact vertex ΓE). Comparison is made between the cases when an additional quasiparticle (QP) approximation for Green's functions is applied during the self-consistent iterative solving of HE and when QP approximation is not applied. Results obtained with the exact vertex are directly related to the present open question—which approximation is more advantageous for future implementations, GW + DMFT or QPGW + DMFT. It is shown that in a regime of strong correlations only the originally proposed GW + DMFT scheme is able to provide reliable results. Vertex corrections based on Perturbation Theory systematically improve the GW results when full self-consistency is applied. The application of QP self-consistency combined with PT vertex corrections shows similar problems to the case when the exact vertex is applied combined with QP sc. An analysis of Ward Identity violation is performed for all studied in this work's approximations and its relation to the general accuracy of the schemes used is provided.

  1. Band-renormalization effect in coexistent state of d-wave superconducting and antiferromagnetic orders for Hubbard model

    NASA Astrophysics Data System (ADS)

    Sato, R.; Yokoyama, H.

    2016-11-01

    In view of cuprate superconductors, we apply a variational Monte Carlo method to a strongly correlated square-lattice Hubbard (t-t‧-U) model. As a one-body part in a trial wave function, we use a coexistent state of antiferromagnetic (AF) and d-wave superconducting (SC) orders for each of which band-renormalization effect (BRE) is considered independently. We focus on t‧/t and doping-rate (δ) dependence of properties of this state. It is found that the BRE for the AF order causes expansion of the AF area up to δ ∼ 0.2 for a large |t‧/t|. For t‧ / t = 0 (- 0.3), the AF and SC orders are coexistent (mutually exclusive), and the state is unstable toward (stable against) phase separation. This feature of coexistence or exclusion depends on the position of the Fermi surface in the underlying pure AF state, and indicates that antinodal Fermi surfaces are crucial for forming d-wave SC.

  2. Superfluid, Mott-insulator, and mass-density-wave phases in the one-dimensional extended Bose-Hubbard model

    SciTech Connect

    Pai, Ramesh V.; Pandit, Rahul

    2005-03-01

    We use the finite-size, density-matrix-renormalization-group (FSDMRG) method to obtain the phase diagram of the one-dimensional (d=1) extended Bose-Hubbard model for density {rho}=1 in the U-V plane, where U and V are, respectively, onsite and nearest-neighbor interactions. The phase diagram comprises three phases: superfluid (SF), Mott insulator (MI), and mass-density-wave (MDW). For small values of U and V, we get a reentrant SF-MI-SF phase transition. For intermediate values of interactions the SF phase is sandwiched between MI and MDW phases with continuous SF-MI and SF-MDW transitions. We show, by a detailed, finite-size scaling analysis, that the MI-SF transition is of Kosterlitz-Thouless (KT) type whereas the MDW-SF transition has both KT and two-dimensional Ising characters. For large values of U and V we get a direct, first-order, MI-MDW transition. The MI-SF, MDW-SF, and MI-MDW phase boundaries join at a bicritical point at (U,V)=(8.5{+-}0.05,4.75{+-}0.05)

  3. Fractional Mott insulator-to-superfluid transition of Bose-Hubbard model in a trimerized Kagomé optical lattice.

    PubMed

    Chen, Qi-Hui; Li, Peng; Su, Haibin

    2016-06-29

    By generalizing the traditional single-site strong coupling expansion approach to a cluster one, we study the zero-temperature phase diagram of bosonic atoms in a trimerized Kagomé optical lattice. Some new features are present in this system. Due to the strong intra-trimer hopping interaction, there will be a new Mott insulator (MI), which is by definition incompressible but with a fractional filling per trimer. This is different from the traditional MI, which has an integral filling and originates only from the repulsive interaction between particles. We investigate the MI-to-superfluid transition and the nature of the fractional MI by calculating the critical exponents of phase transitions and the low-lying energy excitation spectra of quasiparticles (quasihole). We will show how the low-energy properties of this system can be understood qualitatively as a Bose-Hubbard model in triangular lattice from the point of view of the cluster strong coupling expansion. We also discuss how our results are related to experiment by studying the Bragg spectroscopy.

  4. Fractional Mott insulator-to-superfluid transition of Bose-Hubbard model in a trimerized Kagomé optical lattice

    NASA Astrophysics Data System (ADS)

    Chen, Qi-Hui; Li, Peng; Su, Haibin

    2016-06-01

    By generalizing the traditional single-site strong coupling expansion approach to a cluster one, we study the zero-temperature phase diagram of bosonic atoms in a trimerized Kagomé optical lattice. Some new features are present in this system. Due to the strong intra-trimer hopping interaction, there will be a new Mott insulator (MI), which is by definition incompressible but with a fractional filling per trimer. This is different from the traditional MI, which has an integral filling and originates only from the repulsive interaction between particles. We investigate the MI-to-superfluid transition and the nature of the fractional MI by calculating the critical exponents of phase transitions and the low-lying energy excitation spectra of quasiparticles (quasihole). We will show how the low-energy properties of this system can be understood qualitatively as a Bose-Hubbard model in triangular lattice from the point of view of the cluster strong coupling expansion. We also discuss how our results are related to experiment by studying the Bragg spectroscopy.

  5. Phonon enhancement of electronic order and negative isotope effect in the Hubbard-Holstein model on a square lattice

    NASA Astrophysics Data System (ADS)

    Wang, Da; Wang, Wan-Sheng; Wang, Qiang-Hua

    2015-11-01

    In phonon mediated conventional s -wave superconductors, higher-frequency phonon (or smaller atomic mass) leads to a higher superconducting transition temperature, known as the isotope effect. However, in correlated systems, various competing electronic order (such as spin-density-wave, charge-density-wave, and unconventional superconductivity) arises and the effect of electron-phonon coupling on these orders is a long-standing problem. Using the functional renormalization group, here we investigated the interplay between the electron correlation and electron-phonon coupling in the Hubbard-Holstein model on a square lattice. At half-filling, we found spin-density-wave and charge-density-wave phases and the transition between them, while no superconducting phase arises. Upon finite doping, d -wave/s -wave superconductivity emerges in proximity to the spin-density-wave/charge-density-wave phase. Surprisingly, lower-frequency Holstein phonons are either less destructive or even beneficial to the various phases, resulting in a negative isotope effect. For the superconducting phases, such an effect is apparently beyond the Bardeen-Cooper-Schrieffer theory.

  6. Solutions of the two-dimensional Hubbard model: Benchmarks and results from a wide range of numerical algorithms

    DOE PAGES

    LeBlanc, J. P. F.; Antipov, Andrey E.; Becca, Federico; ...

    2015-12-14

    Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary-field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed-node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock methods. Comparison of results obtained by different methods allows for the identification ofmore » uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic-limit values is emphasized. Furthermore, cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods.« less

  7. Solutions of the two-dimensional Hubbard model: Benchmarks and results from a wide range of numerical algorithms

    SciTech Connect

    LeBlanc, J. P. F.; Antipov, Andrey E.; Becca, Federico; Bulik, Ireneusz W.; Chan, Garnet Kin-Lic; Chung, Chia -Min; Deng, Youjin; Ferrero, Michel; Henderson, Thomas M.; Jiménez-Hoyos, Carlos A.; Kozik, E.; Liu, Xuan -Wen; Millis, Andrew J.; Prokof’ev, N. V.; Qin, Mingpu; Scuseria, Gustavo E.; Shi, Hao; Svistunov, B. V.; Tocchio, Luca F.; Tupitsyn, I. S.; White, Steven R.; Zhang, Shiwei; Zheng, Bo -Xiao; Zhu, Zhenyue; Gull, Emanuel

    2015-12-14

    Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary-field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed-node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock methods. Comparison of results obtained by different methods allows for the identification of uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic-limit values is emphasized. Furthermore, cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods.

  8. Interplay between d -wave superconductivity and a bond-density wave in the one-band Hubbard model

    NASA Astrophysics Data System (ADS)

    Faye, J. P. L.; Sénéchal, D.

    2017-03-01

    It is now well established that superconducting cuprates support a charge-density-wave state in the so-called underdoped region of their phase diagram. We investigate the possibility of charge order in the square-lattice Hubbard model, both alone and in coexistence with d -wave superconductivity. The charge order has a period of 4 in one direction, is centered on bonds, and has a d form factor. We use the variational cluster approximation, an approach based on a rigorous variational principle that treats short-range correlations exactly, with two clusters of size 2 ×6 that together tile the infinite lattice and provide a nonbiased unit for a period-4 bond-density wave (BDW). We find that the BDW exists in a finite range of hole doping and increases in strength from U =5 to U =8 . Its location and intensity depend strongly on the band dispersion. When probed simultaneously with d -wave superconductivity, the energy is sometimes lowered by the presence of both phases, depending on the interaction strength. Whenever they coexist, a pair-density wave (a modulation of superconducting pairing with the same period and form factor as the BDW) also exists.

  9. Cluster Luttinger liquids and emergent supersymmetric conformal critical points in the one-dimensional soft-shoulder Hubbard model

    NASA Astrophysics Data System (ADS)

    Dalmonte, M.; Lechner, W.; Cai, Zi; Mattioli, M.; Läuchli, A. M.; Pupillo, G.

    2015-07-01

    We investigate the quantum phases of hard-core bosonic atoms in an extended Hubbard model where particles interact via soft-shoulder potentials in one dimension. Using a combination of field-theoretical methods and strong-coupling perturbation theory, we demonstrate that the low-energy phase can be a conformal cluster Luttinger liquid (CLL) phase with central charge c =1 , where the microscopic degrees of freedom correspond to mesoscopic ensembles of particles. Using numerical density-matrix renormalization-group methods, we demonstrate that the CLL phase [first predicted in M. Mattioli et al., Phys. Rev. Lett. 111, 165302 (2013), 10.1103/PhysRevLett.111.165302] is separated from a conventional Tomonaga-Luttinger liquid by an exotic critical point with central charge c =3/2 . The latter is expression of an emergent conformal supersymmetry, which is not present in the original Hamiltonian. We discuss the observability of the CLL phase in realistic experimental settings with weakly dressed Rydberg atoms confined to optical lattices. Using quantum Monte Carlo simulations, we show that the typical features of CLLs are stable up to comparatively high temperatures. Using exact diagonalizations and quantum trajectory methods, we provide a protocol for adiabatic state preparation as well as quantitative estimates on the effects of particle losses.

  10. Non-trivial θ-vacuum effects in the 2-d O(3) model

    NASA Astrophysics Data System (ADS)

    Bögli, M.; Niedermayer, F.; Pepe, M.; Wiese, U.-J.

    2012-04-01

    We study θ-vacua in the 2-d lattice O(3) model using the standard action and an optimized constraint action with very small cut-off effects, combined with the geometric topological charge. Remarkably, dislocation lattice artifacts do not spoil the non-trivial continuum limit at θ ne 0 , and there are different continuum theories for each value 0 ≤ θ ≤ π. A very precise Monte Carlo study of the step scaling function indirectly confirms the exact S-matrix of the 2-d O(3) model at θ = π.

  11. Towards more realistic 2D & 3D numerical models of Earth's mantle

    NASA Astrophysics Data System (ADS)

    Ghias, Sanaz

    2011-12-01

    There are a number of simplifying assumptions in modeling Earth's deep interior. These are mostly simplifying assumptions that make the mathematics simpler either for less complicated modeling or for numerical efficiency purposes. The aim of this study is to investigate the effects of some of these simplifying assumptions on 2D and 3D mantle convection models. In particular, the cases with variable coefficients of thermal expansion, alpha, and the inclusion of mineral phase transitions and viscosity stratification have been studied. The coefficient of thermal expansion is temperature- and depth-dependent in Earth. But for simplicity, it has been considered as constant in most mantle convection models and only depth-dependent in others. 2D mantle convection models (2D Cartesian and 2D cylindrical) have been created based on an existing model from Jarvis [1992] to investigate the effects of temperature- and depth-dependent alpha on mantle convection compared with the simplified cases. Also an existing version of a 3D parallel mantle convection model, MC3D, from Lowman et al. [2001] have been modified to include the temperature- and depth-dependent alpha. In the 3D study it has also been investigated that how the effects of temperature- and depth-dependent alpha vary with or without lithospheric plates. There are at least two mineral phase transitions in Earth. There is an exothermic phase boundary at 410km below the surface and an endothermic phase boundary at 660km below the surface. For simplicity, most mantle convection models do not consider any of the phase boundaries. Some consider only the endothermic phase boundary. A 2D cylindrical model from Shahnas and Jarvas [2005] has been employed to investigate the effects of considering both phase boundaries compared to models with either no, or one, phase boundary. Different viscosity stratifications have been used in addition to the phase boundaries.

  12. The simulation of 3D mass models in 2D digital mammography and breast tomosynthesis

    SciTech Connect

    Shaheen, Eman De Keyzer, Frederik; Bosmans, Hilde; Ongeval, Chantal Van; Dance, David R.; Young, Kenneth C.

    2014-08-15

    Purpose: This work proposes a new method of building 3D breast mass models with different morphological shapes and describes the validation of the realism of their appearance after simulation into 2D digital mammograms and breast tomosynthesis images. Methods: Twenty-five contrast enhanced MRI breast lesions were collected and each mass was manually segmented in the three orthogonal views: sagittal, coronal, and transversal. The segmented models were combined, resampled to have isotropic voxel sizes, triangularly meshed, and scaled to different sizes. These masses were referred to as nonspiculated masses and were then used as nuclei onto which spicules were grown with an iterative branching algorithm forming a total of 30 spiculated masses. These 55 mass models were projected into 2D projection images to obtain mammograms after image processing and into tomographic sequences of projection images, which were then reconstructed to form 3D tomosynthesis datasets. The realism of the appearance of these mass models was assessed by five radiologists via receiver operating characteristic (ROC) analysis when compared to 54 real masses. All lesions were also given a breast imaging reporting and data system (BIRADS) score. The data sets of 2D mammography and tomosynthesis were read separately. The Kendall's coefficient of concordance was used for the interrater observer agreement assessment for the BIRADS scores per modality. Further paired analysis, using the Wilcoxon signed rank test, of the BIRADS assessment between 2D and tomosynthesis was separately performed for the real masses and for the simulated masses. Results: The area under the ROC curves, averaged over all observers, was 0.54 (95% confidence interval [0.50, 0.66]) for the 2D study, and 0.67 (95% confidence interval [0.55, 0.79]) for the tomosynthesis study. According to the BIRADS scores, the nonspiculated and the spiculated masses varied in their degrees of malignancy from normal (BIRADS 1) to highly

  13. 2D-Raman-THz spectroscopy: A sensitive test of polarizable water models

    NASA Astrophysics Data System (ADS)

    Hamm, Peter

    2014-11-01

    In a recent paper, the experimental 2D-Raman-THz response of liquid water at ambient conditions has been presented [J. Savolainen, S. Ahmed, and P. Hamm, Proc. Natl. Acad. Sci. U. S. A. 110, 20402 (2013)]. Here, all-atom molecular dynamics simulations are performed with the goal to reproduce the experimental results. To that end, the molecular response functions are calculated in a first step, and are then convoluted with the laser pulses in order to enable a direct comparison with the experimental results. The molecular dynamics simulation are performed with several different water models: TIP4P/2005, SWM4-NDP, and TL4P. As polarizability is essential to describe the 2D-Raman-THz response, the TIP4P/2005 water molecules are amended with either an isotropic or a anisotropic polarizability a posteriori after the molecular dynamics simulation. In contrast, SWM4-NDP and TL4P are intrinsically polarizable, and hence the 2D-Raman-THz response can be calculated in a self-consistent way, using the same force field as during the molecular dynamics simulation. It is found that the 2D-Raman-THz response depends extremely sensitively on details of the water model, and in particular on details of the description of polarizability. Despite the limited time resolution of the experiment, it could easily distinguish between various water models. Albeit not perfect, the overall best agreement with the experimental data is obtained for the TL4P water model.

  14. Analysis of Korean Students' International Mobility by 2-D Model: Driving Force Factor and Directional Factor

    ERIC Educational Resources Information Center

    Park, Elisa L.

    2009-01-01

    The purpose of this study is to understand the dynamics of Korean students' international mobility to study abroad by using the 2-D Model. The first D, "the driving force factor," explains how and what components of the dissatisfaction with domestic higher education perceived by Korean students drives students' outward mobility to seek…

  15. 2D-Raman-THz spectroscopy: A sensitive test of polarizable water models

    SciTech Connect

    Hamm, Peter

    2014-11-14

    In a recent paper, the experimental 2D-Raman-THz response of liquid water at ambient conditions has been presented [J. Savolainen, S. Ahmed, and P. Hamm, Proc. Natl. Acad. Sci. U. S. A. 110, 20402 (2013)]. Here, all-atom molecular dynamics simulations are performed with the goal to reproduce the experimental results. To that end, the molecular response functions are calculated in a first step, and are then convoluted with the laser pulses in order to enable a direct comparison with the experimental results. The molecular dynamics simulation are performed with several different water models: TIP4P/2005, SWM4-NDP, and TL4P. As polarizability is essential to describe the 2D-Raman-THz response, the TIP4P/2005 water molecules are amended with either an isotropic or a anisotropic polarizability a posteriori after the molecular dynamics simulation. In contrast, SWM4-NDP and TL4P are intrinsically polarizable, and hence the 2D-Raman-THz response can be calculated in a self-consistent way, using the same force field as during the molecular dynamics simulation. It is found that the 2D-Raman-THz response depends extremely sensitively on details of the water model, and in particular on details of the description of polarizability. Despite the limited time resolution of the experiment, it could easily distinguish between various water models. Albeit not perfect, the overall best agreement with the experimental data is obtained for the TL4P water model.

  16. New technologies of 2-D and 3-D modeling for analysis and management of natural resources

    NASA Astrophysics Data System (ADS)

    Cheremisina, E. N.; Lyubimova, A. V.; Kirpicheva, E. Yu.

    2016-09-01

    For ensuring technological support of research and administrative activity in the sphere of environmental management a specialized modular program complex was developed. The special attention in developing a program complex is focused to creation of convenient and effective tools for creation and visualization 2d and 3D models providing the solution of tasks of the analysis and management of natural resources.

  17. Breach modelling by overflow with TELEMAC 2D: Comparison with large-scale experiments

    Technology Transfer Automated Retrieval System (TEKTRAN)

    An erosion law has been implemented in TELEMAC 2D to represent the surface erosion process to model the breach formation of a levee. We focus on homogeneous and earth fill levee to simplify this first implementation. The first part of this study reveals the ability of this method to represent simu...

  18. Parallelized CCHE2D flow model with CUDA Fortran on Graphics Process Units

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This paper presents the CCHE2D implicit flow model parallelized using CUDA Fortran programming technique on Graphics Processing Units (GPUs). A parallelized implicit Alternating Direction Implicit (ADI) solver using Parallel Cyclic Reduction (PCR) algorithm on GPU is developed and tested. This solve...

  19. Multiple Ising models coupled to 2-d gravity: a CSD analysis

    NASA Astrophysics Data System (ADS)

    Bowick, Mark; Falcioni, Marco; Harris, Geoffrey; Marinari, Enzo

    1994-04-01

    We simulate single and multiple Ising models coupled to 2-d gravity and we measure critical slowing down (CSD) with the standard methods. We find that the Swendsen-Wang and Wolff cluster algorithms do not eliminate CSD. We interpret the result as an effect of the mesh dynamics.

  20. A novel explicit 2D+t cyclic shape model applied to echocardiography.

    PubMed

    Casero, Ramón; Noble, J Alison

    2008-01-01

    In this paper, we propose a novel explicit 2D+t cyclic shape model that extends the Point Distribution Model (PDM) to shapes like myocardial contours with cyclic dynamics. We also propose an extension to Procrustes alignment that removes pose and subject size variability while maintaining dynamic effects. Our model draws on ideas from Principal Component Analysis (PCA), Multidimensional Scaling (MDS) and Kernel PCA (KPCA) and solves 3 shortcomings of previous implicit models: (1) cardiac cycles in the data set do not each need to have the same number of frames, (2) the required number of subjects for statistically significant results is substantially reduced and (3) the displacement of contour points incorporates time as an explicit variable. We illustrate our method by computing models of the myocardium in the 4 principal planes of 2D+t echocardiography data.

  1. Molecular Dynamics implementation of BN2D or 'Mercedes Benz' water model

    NASA Astrophysics Data System (ADS)

    Scukins, Arturs; Bardik, Vitaliy; Pavlov, Evgen; Nerukh, Dmitry

    2015-05-01

    Two-dimensional 'Mercedes Benz' (MB) or BN2D water model (Naim, 1971) is implemented in Molecular Dynamics. It is known that the MB model can capture abnormal properties of real water (high heat capacity, minima of pressure and isothermal compressibility, negative thermal expansion coefficient) (Silverstein et al., 1998). In this work formulas for calculating the thermodynamic, structural and dynamic properties in microcanonical (NVE) and isothermal-isobaric (NPT) ensembles for the model from Molecular Dynamics simulation are derived and verified against known Monte Carlo results. The convergence of the thermodynamic properties and the system's numerical stability are investigated. The results qualitatively reproduce the peculiarities of real water making the model a visually convenient tool that also requires less computational resources, thus allowing simulations of large (hydrodynamic scale) molecular systems. We provide the open source code written in C/C++ for the BN2D water model implementation using Molecular Dynamics.

  2. MODELING THE TRANSVERSE THERMAL CONDUCTIVITY OF 2-D SICF/SIC COMPOSITES MADE WITH WOVEN FABRIC

    SciTech Connect

    Youngblood, Gerald E; Senor, David J; Jones, Russell H

    2004-06-01

    The hierarchical two-layer (H2L) model describes the effective transverse thermal conductivity (Keff) of a 2D-SiCf/SiC composite plate made from stacked and infiltrated woven fabric layers in terms of constituent properties and microstructural and architectural variables. The H2L model includes the effects of fiber-matrix interfacial conductance, high fiber packing fractions within individual tows and the non-uniform nature of 2D fabric/matrix layers that usually include a significant amount of interlayer porosity. Previously, H2L model Keff-predictions were compared to measured values for two versions of 2D Hi-Nicalon/PyC/ICVI-SiC composite, one with a “thin” (0.11m) and the other with a “thick” (1.04m) pyrocarbon (PyC) fiber coating, and for a 2D Tyranno SA/”thin” PyC/FCVI-SIC composite. In this study, H2L model Keff-predictions were compared to measured values for a 2D-SiCf/SiC composite made using the ICVI-process with Hi-Nicalon type S fabric and a “thin” PyC fiber coating. The values of Keff determined for the latter composite were significantly greater than the Keff-values determined for the composites made with either the Hi-Nicalon or the Tyranno SA fabrics. Differences in Keff-values were expected for the different fiber types, but major differences also were due to observed microstructural and architectural variations between the composite systems, and as predicted by the H2L model.

  3. A Deformed Shape Monitoring Model for Building Structures Based on a 2D Laser Scanner

    PubMed Central

    Choi, Se Woon; Kim, Bub Ryur; Lee, Hong Min; Kim, Yousok; Park, Hyo Seon

    2013-01-01

    High-rise buildings subjected to lateral loads such as wind and earthquake loads must be checked not to exceed the limits on the maximum lateral displacement or the maximum inter-story drift ratios. In this paper, a sensing model for deformed shapes of a building structure in motion is presented. The deformed shape sensing model based on a 2D scanner consists of five modules: (1) module for acquiring coordinate information of a point in a building; (2) module for coordinate transformation and data arrangement for generation of time history of the point; (3) module for smoothing by adjacent averaging technique; (4) module for generation of the displacement history for each story and deformed shape of a building, and (5) module for evaluation of the serviceability of a building. The feasibility of the sensing model based on a 2D laser scanner is tested through free vibration tests of a three-story steel frame structure with a relatively high slenderness ratio of 5.0. Free vibration responses measured from both laser displacement sensors and a 2D laser scanner are compared. In the experimentation, the deformed shapes were obtained from three different methods: the model based on the 2D laser scanner, the direct measurement based on laser displacement sensors, and the numerical method using acceleration data and the displacements from GPS. As a result, it is confirmed that the deformed shape measurement model based on a 2D laser scanner can be a promising alternative for high-rise buildings where installation of laser displacement sensors is impossible. PMID:23698269

  4. Superconducting correlations and thermodynamic properties in 2D square and triangular t-J model

    NASA Astrophysics Data System (ADS)

    Ogata, Masao

    2006-03-01

    Equal-time superconducting correlation functions of the two-dimensional t-J model on the square lattice are studied using high-temperature expansion method.[1] The sum of the pairing correlation, its spatial dependence and correlation length are obtained down to T ˜0.2t. By comparison of single-particle contributions in the correlation functions, we find effective attractive interactions between quasi-particles in dx^2-y^2-wave channel. It is shown that d-wave correlation grows rapidly at low temperatures for the doping 0.1 < δ< 0.5. The temperature for this growth is roughly scaled by J/2. This is in sharp contrast to the Hubbard model in a weak or intermediate coupling region, where there are few numerical evidences of superconductivity. We also study the possible d- and f-wave pairing in the triangular t-J model.[2] When t>0 with hole doping, a rapid growth of effective d-wave paring interaction is found that indicates the resonating-valence-bond superconductivity. In contrast, when t<0, where the ferromagnetic- and antiferromagnetic correlation compete, correlation lengths of the f-wave triplet paring tends to diverge around δ=0.6, although its effective interaction is small. This result is compared and discussed with the recently discovered superconductor, NaxCoO2.yH2O, where Co atoms form a triangular lattice. Specific heat in low temperatures are also obtained in the high-temperature expansion method. We will discuss that the doping dependence of the specific heat coefficient, γ, agrees with experimental data. [1] T. Koretsune and M. Ogata, J. Phys. Soc. Japan 74, 1390 (2005). [2] T. Koretsune and M. Ogata, Phys. Rev. Lett. 89, 116401 (2002), and Phys. Rev. B72, 134513 (2005).

  5. Numerical Simulation of Slinger Combustor Using 2-D Axisymmetric Computational Model

    NASA Astrophysics Data System (ADS)

    Lee, Semin; Park, Soo Hyung; Lee, Donghun

    2010-06-01

    Small-size turbojet engines have difficulties in maintaining the chemical reaction due to the limitation of chamber size. The combustion chamber is generally designed to improve the reaction efficiency by the generation of vortices in the chamber and to enhance air-fuel mixing characteristics. In the initial stage of designing the combustor, analysis of the 3-D full configuration is not practical due to the huge time consuming computation and grid generation followed by modifications of the geometry. In the present paper, an axisymmetric model maintaining geometric similarity and flow characteristic of 3-D configuration is developed. Based on numerical results from the full 3-D configuration, model reduction is achieved toward 2-D axisymmetric configuration. In the modeling process, the area and location of each hole in 3-D full configuration are considered reasonably and replaced to the 2-D axisymmetric model. By using the 2-D axisymmetric model, the factor that can affect the performance is investigated with the assumption that the flow is non-reacting and turbulent. Numerical results from the present model show a good agreement with numerical results from 3-D full configuration model such as existence of vortex pair in forward region and total pressure loss. By simplifying the complex 3-D model, computing time can be remarkably reduced and it makes easy to find effects of geometry modification.

  6. Simplified 2D Bidomain Model of Whole Heart Electrical Activity and ECG Generation

    NASA Astrophysics Data System (ADS)

    Sovilj, Siniša; Magjarević, Ratko; Abed, Amr Al; Lovell, Nigel H.; Dokos, Socrates

    2014-06-01

    The aim of this study was the development of a geometrically simple and highly computationally-efficient two dimensional (2D) biophysical model of whole heart electrical activity, incorporating spontaneous activation of the sinoatrial node (SAN), the specialized conduction system, and realistic surface ECG morphology computed on the torso. The FitzHugh-Nagumo (FHN) equations were incorporated into a bidomain finite element model of cardiac electrical activity, which was comprised of a simplified geometry of the whole heart with the blood cavities, the lungs and the torso as an extracellular volume conductor. To model the ECG, we placed four electrodes on the surface of the torso to simulate three Einthoven leads VI, VII and VIII from the standard 12-lead system. The 2D model was able to reconstruct ECG morphology on the torso from action potentials generated at various regions of the heart, including the sinoatrial node, atria, atrioventricular node, His bundle, bundle branches, Purkinje fibers, and ventricles. Our 2D cardiac model offers a good compromise between computational load and model complexity, and can be used as a first step towards three dimensional (3D) ECG models with more complex, precise and accurate geometry of anatomical structures, to investigate the effect of various cardiac electrophysiological parameters on ECG morphology.

  7. Coupled BOUSS-2D and CMS-Wave Modeling Approach for Harbor Projects

    DTIC Science & Technology

    2012-08-01

    channels, erosion problems at coastal inlets, and aid in design and Report Documentation Page Form ApprovedOMB No. 0704-0188 Public reporting burden for...Harbor Projects by Lihwa Lin and Zeki Demirbilek PURPOSE: This Coastal and Hydraulics Engineering Technical Note (CHETN) describes the coupled...application of two advanced coastal wave models, BOUSS-2D and CMS-Wave, for harbor applications. The two models have different computational features and

  8. In vitro systems to study nephropharmacology: 2D versus 3D models.

    PubMed

    Sánchez-Romero, Natalia; Schophuizen, Carolien M S; Giménez, Ignacio; Masereeuw, Rosalinde

    2016-11-05

    The conventional 2-dimensional (2D) cell culture is an invaluable tool in, amongst others, cell biology and experimental pharmacology. However, cells cultured in 2D, on the top of stiff plastic plates lose their phenotypical characteristics and fail in recreating the physiological environment found in vivo. This is a fundamental requirement when the goal of the study is to get a rigorous predictive response of human drug action and safety. Recent approaches in the field of renal cell biology are focused on the generation of 3D cell culture models due to the more bona fide features that they exhibit and the fact that they are more closely related to the observed physiological conditions, and better predict in vivo drug handling. In this review, we describe the currently available 3D in vitro models of the kidney, and some future directions for studying renal drug handling, disease modeling and kidney regeneration.

  9. A depth-averaged 2-D model of flow and sediment transport in coastal waters

    NASA Astrophysics Data System (ADS)

    Sanchez, Alejandro; Wu, Weiming; Beck, Tanya M.

    2016-11-01

    A depth-averaged 2-D model has been developed to simulate unsteady flow and nonuniform sediment transport in coastal waters. The current motion is computed by solving the phase-averaged 2-D shallow water flow equations reformulated in terms of total-flux velocity, accounting for the effects of wave radiation stresses and general diffusion or mixing induced by current, waves, and wave breaking. The cross-shore boundary conditions are specified by assuming fully developed longshore current and wave setup that are determined using the reduced 1-D momentum equations. A 2-D wave spectral transformation model is used to calculate the wave height, period, direction, and radiation stresses, and a surface wave roller model is adopted to consider the effects of surface roller on the nearshore currents. The nonequilibrium transport of nonuniform total-load sediment is simulated, considering sediment entrainment by current and waves, the lag of sediment transport relative to the flow, and the hiding and exposure effect of nonuniform bed material. The flow and sediment transport equations are solved using an implicit finite volume method on a variety of meshes including nonuniform rectangular, telescoping (quadtree) rectangular, and hybrid triangular/quadrilateral meshes. The flow and wave models are integrated through a carefully designed steering process. The model has been tested in three field cases, showing generally good performance.

  10. TRENT2D WG: a smart web infrastructure for debris-flow modelling and hazard assessment

    NASA Astrophysics Data System (ADS)

    Zorzi, Nadia; Rosatti, Giorgio; Zugliani, Daniel; Rizzi, Alessandro; Piffer, Stefano

    2016-04-01

    Mountain regions are naturally exposed to geomorphic flows, which involve large amounts of sediments and induce significant morphological modifications. The physical complexity of this class of phenomena represents a challenging issue for modelling, leading to elaborate theoretical frameworks and sophisticated numerical techniques. In general, geomorphic-flows models proved to be valid tools in hazard assessment and management. However, model complexity seems to represent one of the main obstacles to the diffusion of advanced modelling tools between practitioners and stakeholders, although the UE Flood Directive (2007/60/EC) requires risk management and assessment to be based on "best practices and best available technologies". Furthermore, several cutting-edge models are not particularly user-friendly and multiple stand-alone software are needed to pre- and post-process modelling data. For all these reasons, users often resort to quicker and rougher approaches, leading possibly to unreliable results. Therefore, some effort seems to be necessary to overcome these drawbacks, with the purpose of supporting and encouraging a widespread diffusion of the most reliable, although sophisticated, modelling tools. With this aim, this work presents TRENT2D WG, a new smart modelling solution for the state-of-the-art model TRENT2D (Armanini et al., 2009, Rosatti and Begnudelli, 2013), which simulates debris flows and hyperconcentrated flows adopting a two-phase description over a mobile bed. TRENT2D WG is a web infrastructure joining advantages offered by the software-delivering model SaaS (Software as a Service) and by WebGIS technology and hosting a complete and user-friendly working environment for modelling. In order to develop TRENT2D WG, the model TRENT2D was converted into a service and exposed on a cloud server, transferring computational burdens from the user hardware to a high-performing server and reducing computational time. Then, the system was equipped with an

  11. A Convective Vorticity Vector Associated With Tropical Convection: A 2D Cloud-Resolving Modeling Study

    NASA Technical Reports Server (NTRS)

    Gao, Shou-Ting; Ping, Fan; Li, Xiao-Fan; Tao, Wei-Kuo

    2004-01-01

    Although dry/moist potential vorticity is a useful physical quantity for meteorological analysis, it cannot be applied to the analysis of 2D simulations. A convective vorticity vector (CVV) is introduced in this study to analyze 2D cloud-resolving simulation data associated with 2D tropical convection. The cloud model is forced by the vertical velocity, zonal wind, horizontal advection, and sea surface temperature obtained from the TOGA COARE, and is integrated for a selected 10-day period. The CVV has zonal and vertical components in the 2D x-z frame. Analysis of zonally-averaged and mass-integrated quantities shows that the correlation coefficient between the vertical component of the CVV and the sum of the cloud hydrometeor mixing ratios is 0.81, whereas the correlation coefficient between the zonal component and the sum of the mixing ratios is only 0.18. This indicates that the vertical component of the CVV is closely associated with tropical convection. The tendency equation for the vertical component of the CVV is derived and the zonally-averaged and mass-integrated tendency budgets are analyzed. The tendency of the vertical component of the CVV is determined by the interaction between the vorticity and the zonal gradient of cloud heating. The results demonstrate that the vertical component of the CVV is a cloud-linked parameter and can be used to study tropical convection.

  12. 2D versus 3D cross-correlation-based radial and circumferential strain estimation using multiplane 2D ultrafast ultrasound in a 3D atherosclerotic carotid artery model.

    PubMed

    Fekkes, Stein; Swillens, Abigail E S; Hansen, Hendrik H G; Saris, Anne E C M; Nillesen, Maartje M; Iannaccone, Francesco; Segers, Patrick; de Korte, Chris L

    2016-08-25

    Three-dimensional strain estimation might improve the detection and localization of high strain regions in the carotid artery for identification of vulnerable plaques. This study compares 2D vs. 3D displacement estimation in terms of radial and circumferential strain using simulated ultrasound images of a patient specific 3D atherosclerotic carotid artery model at the bifurcation embedded in surrounding tissue generated with ABAQUS software. Global longitudinal motion was superimposed to the model based on literature data. A Philips L11-3 linear array transducer was simulated which transmitted plane waves at 3 alternating angles at a pulse repetition rate of 10 kHz. Inter-frame radiofrequency ultrasound data were simulated in Field II for 191 equally spaced longitudinal positions of the internal carotid artery. Accumulated radial and circumferential displacements were estimated using tracking of the inter-frame displacements estimated by a two-step normalized cross-correlation method and displacement compounding. Least squares strain estimation was performed to determine accumulated radial and circumferential strain. The performance of the 2D and 3D method was compared by calculating the root-mean-squared error of the estimated strains with respect to the reference strains obtained from the model. More accurate strain images were obtained using the 3D displacement estimation for the entire cardiac cycle. The 3D technique clearly outperformed the 2D technique in phases with high inter-frame longitudinal motion. In fact the large inter-frame longitudinal motion rendered it impossible to accurately track the tissue and cumulate strains over the entire cardiac cycle with the 2D technique.

  13. 2-D Versus 3-D Cross-Correlation-Based Radial and Circumferential Strain Estimation Using Multiplane 2-D Ultrafast Ultrasound in a 3-D Atherosclerotic Carotid Artery Model.

    PubMed

    Fekkes, Stein; Swillens, Abigail E S; Hansen, Hendrik H G; Saris, Anne E C M; Nillesen, Maartje M; Iannaccone, Francesco; Segers, Patrick; de Korte, Chris L

    2016-10-01

    Three-dimensional (3-D) strain estimation might improve the detection and localization of high strain regions in the carotid artery (CA) for identification of vulnerable plaques. This paper compares 2-D versus 3-D displacement estimation in terms of radial and circumferential strain using simulated ultrasound (US) images of a patient-specific 3-D atherosclerotic CA model at the bifurcation embedded in surrounding tissue generated with ABAQUS software. Global longitudinal motion was superimposed to the model based on the literature data. A Philips L11-3 linear array transducer was simulated, which transmitted plane waves at three alternating angles at a pulse repetition rate of 10 kHz. Interframe (IF) radio-frequency US data were simulated in Field II for 191 equally spaced longitudinal positions of the internal CA. Accumulated radial and circumferential displacements were estimated using tracking of the IF displacements estimated by a two-step normalized cross-correlation method and displacement compounding. Least-squares strain estimation was performed to determine accumulated radial and circumferential strain. The performance of the 2-D and 3-D methods was compared by calculating the root-mean-squared error of the estimated strains with respect to the reference strains obtained from the model. More accurate strain images were obtained using the 3-D displacement estimation for the entire cardiac cycle. The 3-D technique clearly outperformed the 2-D technique in phases with high IF longitudinal motion. In fact, the large IF longitudinal motion rendered it impossible to accurately track the tissue and cumulate strains over the entire cardiac cycle with the 2-D technique.

  14. A preliminary 3D model for cytochrome P450 2D6 constructed by homology model building.

    PubMed

    Koymans, L M; Vermeulen, N P; Baarslag, A; Donné-Op den Kelder, G M

    1993-06-01

    A homology model building study of cytochrome P450 2D6 has been carried out based on the crystal structure of cytochrome P450 101. The primary sequences of P450 101 and P450 2D6 were aligned by making use of an automated alignment procedure. This alignment was adjusted manually by matching alpha-helices (C, D, G, I, J, K and L) and beta-sheets (beta 3/beta 4) of P450 101 that are proposed to be conserved in membrane-bound P450s (Ouzounis and Melvin [Eur. J. Biochem., 198 (1991) 307]) to the corresponding regions in the primary amino acid sequence of P450 2D6. Furthermore, alpha-helices B, B' and F were found to be conserved in P450 2D6. No significant homology between the remaining regions of P450 101 and P450 2D6 could be found and these regions were therefore deleted. A 3D model of P450 2D6 was constructed by copying the coordinates of the residues from the crystal structure of P450 101 to the corresponding residues in P450 2D6. The regions without a significant homology with P450 101 were not incorporated into the model. After energy-minimization of the resulting 3D model of P450 2D6, possible active site residues were identified by fitting the substrates debrisoquine and dextrometorphan into the proposed active site. Both substrates could be positioned into a planar pocket near the heme region formed by residues Val370, Pro371, Leu372, Trp316, and part of the oxygen binding site of P450 2D6. Furthermore, the carboxylate group of either Asp100 or Asp301 was identified as a possible candidate for the proposed interaction with basic nitrogen atom(s) of the substrates.(ABSTRACT TRUNCATED AT 250 WORDS)

  15. Modeling potential hydrochemical responses to climate change and increasing CO2 at the Hubbard Brook Experimental Forest using a dynamic biogeochemical model (PnET-BGC)

    NASA Astrophysics Data System (ADS)

    Pourmokhtarian, Afshin; Driscoll, Charles T.; Campbell, John L.; Hayhoe, Katharine

    2012-07-01

    Dynamic hydrochemical models are useful tools for understanding and predicting the interactive effects of climate change, atmospheric CO2, and atmospheric deposition on the hydrology and water quality of forested watersheds. We used the biogeochemical model, PnET-BGC, to evaluate the effects of potential future changes in temperature, precipitation, solar radiation, and atmospheric CO2on pools, concentrations, and fluxes of major elements at the Hubbard Brook Experimental Forest in New Hampshire, United States. Future climate projections used to run PnET-BGC were generated specifically for the Hubbard Brook Experimental Forest with a statistical technique that downscales climate output (e.g., air temperature, precipitation, solar radiation) from atmosphere-ocean general circulation models (AOGCMs) to a finer temporal and spatial resolution. These climate projections indicate that over the twenty-first century, average air temperature will increase at the site by 1.7°C to 6.5°C with simultaneous increases in annual average precipitation ranging from 4 to 32 cm above the long-term mean (1970-2000). PnET-BGC simulations under future climate change show a shift in hydrology characterized by later snowpack development, earlier spring discharge (snowmelt), greater evapotranspiration, and a slight increase in annual water yield (associated with CO2 effects on vegetation). Model results indicate that under elevated temperature, net soil nitrogen mineralization and nitrification markedly increase, resulting in acidification of soil and stream water, thereby altering the quality of water draining from forested watersheds. Invoking a CO2 fertilization effect on vegetation under climate change substantially mitigates watershed nitrogen loss, highlighting the need for a more thorough understanding of CO2 effects on forest vegetation.

  16. A Neural-FEM tool for the 2-D magnetic hysteresis modeling

    NASA Astrophysics Data System (ADS)

    Cardelli, E.; Faba, A.; Laudani, A.; Lozito, G. M.; Riganti Fulginei, F.; Salvini, A.

    2016-04-01

    The aim of this work is to present a new tool for the analysis of magnetic field problems considering 2-D magnetic hysteresis. In particular, this tool makes use of the Finite Element Method to solve the magnetic field problem in real device, and fruitfully exploits a neural network (NN) for the modeling of 2-D magnetic hysteresis of materials. The NS has as input the magnetic inductions components B at the k-th simulation step and returns as output the corresponding values of the magnetic field H corresponding to the input pattern. It is trained by vector measurements performed on the magnetic material to be modeled. This input/output scheme is directly implemented in a FEM code employing the magnetic potential vector A formulation. Validations through measurements on a real device have been performed.

  17. Laser irradiated fluorescent perfluorocarbon microparticles in 2-D and 3-D breast cancer cell models

    NASA Astrophysics Data System (ADS)

    Niu, Chengcheng; Wang, Long; Wang, Zhigang; Xu, Yan; Hu, Yihe; Peng, Qinghai

    2017-03-01

    Perfluorocarbon (PFC) droplets were studied as new generation ultrasound contrast agents via acoustic or optical droplet vaporization (ADV or ODV). Little is known about the ODV irradiated vaporization mechanisms of PFC-microparticle complexs and the stability of the new bubbles produced. In this study, fluorescent perfluorohexane (PFH) poly(lactic-co-glycolic acid) (PLGA) particles were used as a model to study the process of particle vaporization and bubble stability following excitation in two-dimensional (2-D) and three-dimensional (3-D) cell models. We observed localization of the fluorescent agent on the microparticle coating material initially and after vaporization under fluorescence microscopy. Furthermore, the stability and growth dynamics of the newly created bubbles were observed for 11 min following vaporization. The particles were co-cultured with 2-D cells to form 3-D spheroids and could be vaporized even when encapsulated within the spheroids via laser irradiation, which provides an effective basis for further work.

  18. Critical slowing down of cluster algorithms for Ising models coupled to 2-d gravity

    NASA Astrophysics Data System (ADS)

    Bowick, Mark; Falcioni, Marco; Harris, Geoffrey; Marinari, Enzo

    1994-02-01

    We simulate single and multiple Ising models coupled to 2-d gravity using both the Swendsen-Wang and Wolff algorithms to update the spins. We study the integrated autocorrelation time and find that there is considerable critical slowing down, particularly in the magnetization. We argue that this is primarily due to the local nature of the dynamical triangulation algorithm and to the generation of a distribution of baby universes which inhibits cluster growth.

  19. Partial breakdown of quantum thermalization in a Hubbard-like model

    NASA Astrophysics Data System (ADS)

    Garrison, James R.; Mishmash, Ryan V.; Fisher, Matthew P. A.

    2017-02-01

    We study the possible breakdown of quantum thermalization in a model of itinerant electrons on a one-dimensional chain without disorder, with both spin and charge degrees of freedom. The eigenstates of this model exhibit peculiar properties in the entanglement entropy, the apparent scaling of which is modified from a "volume law" to an "area law" after performing a partial, site-wise measurement on the system. These properties and others suggest that this model realizes a new, nonthermal phase of matter, known as a quantum disentangled liquid (QDL). The putative existence of this phase has striking implications for the foundations of quantum statistical mechanics.

  20. Effective single-band Hubbard model for the cuprates: Coulomb interactions and apical oxygen

    NASA Astrophysics Data System (ADS)

    Feiner, L. F.; Jefferson, J. H.; Raimondi, R.

    1995-02-01

    Starting with the three-band d-p model representing the high- Tc cuprates, we make a systematic reduction to an effective single-band model using a previously developed cell-perturbation method. In particular, we consider the effect of Coulomb repulsions on oxygen ( Up) and between copper and oxygen ( Vpd), and show that the resulting net Coloumb interaction between doped holes on neighbouring cells can be attractive due to locally enhanced pd hybridization, while this cannot occur for electrons. Extending to a five-band model, by including d 3 z2- r2 and apex p z orbitals, we show that there is, in addition to the usual Zhang-Rice singlet, a two-hole cell state which can be low in energy (depending on the proximity of the apicals), and may lead to a breakdown of the effective single-band model.

  1. Dynamic Cluster Quantum Monte Carlo Simulations of a Two-Dimensional Hubbard Model with Stripelike Charge-Density-Wave Modulations: Interplay between Inhomogeneities and the Superconducting State

    SciTech Connect

    Maier, Thomas A; Alvarez, Gonzalo; Summers, Michael Stuart; Schulthess, Thomas C

    2010-01-01

    Using dynamic cluster quantum Monte Carlo simulations, we study the superconducting behavior of a 1=8 doped two-dimensional Hubbard model with imposed unidirectional stripelike charge-density-wave modulation. We find a significant increase of the pairing correlations and critical temperature relative to the homogeneous system when the modulation length scale is sufficiently large. With a separable form of the irreducible particle-particle vertex, we show that optimized superconductivity is obtained for a moderate modulation strength due to a delicate balance between the modulation enhanced pairing interaction, and a concomitant suppression of the bare particle-particle excitations by a modulation reduction of the quasiparticle weight.

  2. Spectral functions of the one-dimensional Hubbard model in the U{r_arrow}+{infinity} limit: How to use the factorized wave function

    SciTech Connect

    Penc, K.; Hallberg, K.; Mila, F.; Shiba, H.

    1997-06-01

    We give the details of the calculation of the spectral functions of the one-dimensional Hubbard model using the spin-charge factorized wave function for several versions of the U{r_arrow}+{infinity} limit. The spectral functions are expressed as a convolution of charge and spin dynamical correlation functions. A procedure to evaluate these correlation functions very accurately for large systems is developed, and analytical results are presented for the low-energy region. These results are fully consistent with the conformal field theory. We also propose a direct method of extracting the exponents from the matrix elements in more general cases. {copyright} {ital 1997} {ital The American Physical Society}

  3. Phase transitions in the hard-core Bose-Fermi-Hubbard model at non-zero temperatures in the heavy-fermion limit

    NASA Astrophysics Data System (ADS)

    Stasyuk, I. V.; Krasnov, V. O.

    2017-04-01

    Phase transitions at non-zero temperatures in ultracold Bose- and Fermi-particles mixture in optical lattices using the Bose-Fermi-Hubbard model in the mean field and hard-core boson approximations are investigated. The case of infinitely small fermion transfer and the repulsive on-site boson-fermion interaction is considered. The possibility of change of order (from the 2nd to the 1st one) of the phase transition to the superfluid phase in the regime of fixed values of the chemical potentials of Bose- and Fermi-particles is established. The relevant phase diagrams determining the conditions at which such a change takes place, are built.

  4. Local Correlation Effects on thes±- ands++-Wave Superconductivities Mediated by Magnetic and Orbital Fluctuations in the Five-Orbital Hubbard Model for Iron Pnictides

    NASA Astrophysics Data System (ADS)

    Ishizuka, Jun; Yamada, Takemi; Yanagi, Yuki; Ōno, Yoshiaki

    2013-12-01

    We investigate the electronic state and the superconductivity in the 5-orbital Hubbard model for iron pnictides by using the dynamical mean-field theory in conjunction with the Eliashberg equation. The renormalization factor exhibits significant orbital dependence resulting in the large change in the band dispersion as observed in recent ARPES experiments. The critical interactions towards the magnetic, orbital and superconducting instabilities are suppressed as compared with those from the random phase approximation (RPA) due to local correlation effects. Remarkably, the s++-pairing phase due to the orbital fluctuation is largely expanded relative to the RPA result, while the s+--pairing phase due to the magnetic fluctuation is reduced.

  5. Evidence of a short-range incommensurate d-wave charge order from a fermionic two-loop renormalization group calculation of a 2D model with hot spots

    SciTech Connect

    Carvalho, Vanuildo S de; Freire, Hermann

    2014-09-15

    The two-loop renormalization group (RG) calculation is considerably extended here for the two-dimensional (2D) fermionic effective field theory model, which includes only the so-called “hot spots” that are connected by the spin-density-wave (SDW) ordering wavevector on a Fermi surface generated by the 2D t−t{sup ′} Hubbard model at low hole doping. We compute the Callan–Symanzik RG equation up to two loops describing the flow of the single-particle Green’s function, the corresponding spectral function, the Fermi velocity, and some of the most important order-parameter susceptibilities in the model at lower energies. As a result, we establish that–in addition to clearly dominant SDW correlations–an approximate (pseudospin) symmetry relating a short-range incommensurated-wave charge order to the d-wave superconducting order indeed emerges at lower energy scales, which is in agreement with recent works available in the literature addressing the 2D spin-fermion model. We derive implications of this possible electronic phase in the ongoing attempt to describe the phenomenology of the pseudogap regime in underdoped cuprates.

  6. Magnetic states of the five-orbital Hubbard model for one-dimensional iron-based superconductors

    SciTech Connect

    Luo, Qinlong; Foyevtsova, Kateryna; Samolyuk, German D; Reboredo, Fernando A; Dagotto, G

    2014-01-01

    Themagneticphasediagramsofmodelsforquasi-one-dimensionalcompoundsbelongingtotheiron-based-superconductorfamilyarepresented.The ve-orbitalHubbardmodelandthereal-spaceHartree Fockapproximationareemployed,supplementedbydensityfunctionaltheorytoobtainthehoppingamplitudes.PhasediagramsareconstructedbyvaryingtheHubbardUandHundJcouplingsatzerotemperature.Thestudyiscarriedoutatelectronicdensity(electronsperiron)n=5.0,whichisofrelevanceforthealready-knownmaterialTlFeSe2,andalsoatn=6.0,whererepresentativecompoundsstillneedtobesynthesized.Atn=5.0thereisacleardominanceofstaggeredspinorderalongthechaindirection.Atn=6.0andwiththerealisticHundcouplingJ/U=0.25,thephasediagramisfarricher,includingavarietyof block statesinvolvingferromagneticclustersthatareantiferromagneticallycoupled,inqualitativeagreementwithrecentdensitymatrixrenormalizationgroupcalculationsforthethree-orbitalHubbardmodelinadifferentcontext.Theseblockstatesarisefromthecompetitionbetweenferromagneticorder(inducedbydoubleexchangeandprevailingatlargeJ/U)andantiferromagneticorder(dominatingatsmallJ/U).Thedensityofstatesandorbitalcompositionsofthemanyphasesarealsoprovided.

  7. A simple 2-D inundation model for incorporating flood damage in urban drainage planning

    NASA Astrophysics Data System (ADS)

    Pathirana, A.; Tsegaye, S.; Gersonius, B.; Vairavamoorthy, K.

    2008-11-01

    In this paper a new inundation model code is developed and coupled with Storm Water Management Model, SWMM, to relate spatial information associated with urban drainage systems as criteria for planning of storm water drainage networks. The prime objective is to achive a model code that is simple and fast enough to be consistently be used in planning stages of urban drainage projects. The formulation for the two-dimensional (2-D) surface flow model algorithms is based on the Navier Stokes equation in two dimensions. An Alternating Direction Implicit (ADI) finite difference numerical scheme is applied to solve the governing equations. This numerical scheme is used to express the partial differential equations with time steps split into two halves. The model algorithm is written using C++ computer programming language. This 2-D surface flow model is then coupled with SWMM for simulation of both pipe flow component and surcharge induced inundation in urban areas. In addition, a damage calculation block is integrated within the inundation model code. The coupled model is shown to be capable of dealing with various flow conditions, as well as being able to simulate wetting and drying processes that will occur as the flood flows over an urban area. It has been applied under idealized and semi-hypothetical cases to determine detailed inundation zones, depths and velocities due to surcharged water on overland surface.

  8. Finite-size effects in Luther-Emery phases of Holstein and Hubbard models

    NASA Astrophysics Data System (ADS)

    Greitemann, J.; Hesselmann, S.; Wessel, S.; Assaad, F. F.; Hohenadler, M.

    2015-12-01

    The one-dimensional Holstein model and its generalizations have been studied extensively to understand the effects of electron-phonon interaction. The half-filled case is of particular interest, as it describes a transition from a metallic phase with a spin gap due to attractive backscattering to a Peierls insulator with charge-density-wave order. Our quantum Monte Carlo results support the existence of a metallic phase with dominant power-law charge correlations, as described by the Luther-Emery fixed point. We demonstrate that for Holstein and also for purely fermionic models the spin gap significantly complicates finite-size numerical studies, and explains inconsistent previous results for Luttinger parameters and phase boundaries. On the other hand, no such complications arise in spinless models. The correct low-energy theory of the spinful Holstein model is argued to be that of singlet bipolarons with a repulsive, mutual interaction. This picture naturally explains the existence of a metallic phase, but also implies that gapless Luttinger liquid theory is not applicable.

  9. Model-based 3D/2D deformable registration of MR images.

    PubMed

    Marami, Bahram; Sirouspour, Shahin; Capson, David W

    2011-01-01

    A method is proposed for automatic registration of 3D preoperative magnetic resonance images of deformable tissue to a sequence of its 2D intraoperative images. The algorithm employs a dynamic continuum mechanics model of the deformation and similarity (distance) measures such as correlation ratio, mutual information or sum of squared differences for registration. The registration is solely based on information present in the 3D preoperative and 2D intraoperative images and does not require fiducial markers, feature extraction or image segmentation. Results of experiments with a biopsy training breast phantom show that the proposed method can perform well in the presence of large deformations. This is particularly useful for clinical applications such as MR-based breast biopsy where large tissue deformations occur.

  10. Nested 1D-2D approach for urban surface flood modeling

    NASA Astrophysics Data System (ADS)

    Murla, Damian; Willems, Patrick

    2015-04-01

    Floods in urban areas as a consequence of sewer capacity exceedance receive increased attention because of trends in urbanization (increased population density and impermeability of the surface) and climate change. Despite the strong recent developments in numerical modeling of water systems, urban surface flood modeling is still a major challenge. Whereas very advanced and accurate flood modeling systems are in place and operation by many river authorities in support of flood management along rivers, this is not yet the case in urban water management. Reasons include the small scale of the urban inundation processes, the need to have very high resolution topographical information available, and the huge computational demands. Urban drainage related inundation modeling requires a 1D full hydrodynamic model of the sewer network to be coupled with a 2D surface flood model. To reduce the computational times, 0D (flood cones), 1D/quasi-2D surface flood modeling approaches have been developed and applied in some case studies. In this research, a nested 1D/2D hydraulic model has been developed for an urban catchment at the city of Gent (Belgium), linking the underground sewer (minor system) with the overland surface (major system). For the overland surface flood modelling, comparison was made of 0D, 1D/quasi-2D and full 2D approaches. The approaches are advanced by considering nested 1D-2D approaches, including infiltration in the green city areas, and allowing the effects of surface storm water storage to be simulated. An optimal nested combination of three different mesh resolutions was identified; based on a compromise between precision and simulation time for further real-time flood forecasting, warning and control applications. Main streets as mesh zones together with buildings as void regions constitute one of these mesh resolution (3.75m2 - 15m2); they have been included since they channel most of the flood water from the manholes and they improve the accuracy of

  11. Stripes on a 6-leg Hubbard ladder.

    PubMed

    White, Steven R; Scalapino, D J

    2003-09-26

    While density matrix renormalization group calculations find stripes on doped n-leg t-J ladders, little is known about the possible formation of stripes on n-leg Hubbard ladders. Here we report results for a 7x6 Hubbard model with four holes. We find that a stripe forms for values of U/t ranging from 6 to 20. For U/t approximately 3-4, the system exhibits the domain wall feature of a stripe, but the hole density is very broadened.

  12. Topological edge States in the one-dimensional superlattice Bose-Hubbard model.

    PubMed

    Grusdt, Fabian; Höning, Michael; Fleischhauer, Michael

    2013-06-28

    We analyze interacting ultracold bosonic atoms in a one-dimensional superlattice potential with alternating tunneling rates t1 and t2 and inversion symmetry, which is the bosonic analogue of the Su-Schrieffer-Heeger model. A Z2 topological order parameter is introduced which is quantized for the Mott insulating (MI) phases. Depending on the ratio t1/t2 the n=1/2 MI phase is topologically nontrivial, which results in many-body edge states at open boundaries. In contrast to the Su-Schrieffer-Heeger model the bosonic counterpart lacks chiral symmetry and the edge states are no longer midgap. This leads to a generalization of the bulk-edge correspondence, which we discuss in detail. The edge states can be observed in cold atom experiments by creating a step in the effective confining potential, e.g., by a second heavy atom species, which leads to an interface between two MI regions with filling n=1 and n=1/2. The shape and energy of the edge states as well as the conditions for their occupation are determined analytically in the strong coupling limit and in general by density-matrix renormalization group simulations.

  13. Effect of hole doping on the electronic structure and the Fermi surface in the Hubbard model within norm-conserving cluster pertubation theory

    SciTech Connect

    Nikolaev, S. V. Ovchinnikov, S. G.

    2012-01-15

    The concentration dependences of the band structure, spectral weight, density of states, and Fermi surface in the paramagnetic state are studied in the Hubbard model within cluster pertubation theory with 2 Multiplication-Sign 2 clusters. Representation of the Hubbard X operators makes it possible to control conservation of the spectral weight in constructing cluster perturbation theory. The calculated value of the ground-state energy is in good agreement with the results obtained using nonperturbative methods such as the quantum Monte Carlo method, exact diagonalization of a 4 Multiplication-Sign 4 cluster, and the variational Monte Carlo method. It is shown that in the case of hole doping, the states in the band gap (in-gap states) lie near the top of the lower Hubbard band for large values of U and near the bottom of the upper band for small U. The concentration dependence of the Fermi surface strongly depends on hopping to second (t Prime ) and third (t Double-Prime ) neighbors. For parameter values typical of HTSC cuprates, the existence of three concentration regions with different Fermi surfaces is demonstrated. It is shown that broadening of the spectral electron density with an energy resolution typical of contemporary ARPES leads to a pattern of arcs with a length depending on the concentration. Only an order-of-magnitude decrease in the linewidth makes it possible to obtain the true Fermi surface from the spectral density. The kinks associated with strong electron correlations are detected in the dispersion relation below the Fermi level.

  14. ICF target 2D modeling using Monte Carlo SNB electron thermal transport in DRACO

    NASA Astrophysics Data System (ADS)

    Chenhall, Jeffrey; Cao, Duc; Moses, Gregory

    2016-10-01

    The iSNB (implicit Schurtz Nicolai Busquet multigroup diffusion electron thermal transport method is adapted into a Monte Carlo (MC) transport method to better model angular and long mean free path non-local effects. The MC model was first implemented in the 1D LILAC code to verify consistency with the iSNB model. Implementation of the MC SNB model in the 2D DRACO code enables higher fidelity non-local thermal transport modeling in 2D implosions such as polar drive experiments on NIF. The final step is to optimize the MC model by hybridizing it with a MC version of the iSNB diffusion method. The hybrid method will combine the efficiency of a diffusion method in intermediate mean free path regions with the accuracy of a transport method in long mean free path regions allowing for improved computational efficiency while maintaining accuracy. Work to date on the method will be presented. This work was supported by Sandia National Laboratories and the Univ. of Rochester Laboratory for Laser Energetics.

  15. 3D/2D Model-to-Image Registration for Quantitative Dietary Assessment.

    PubMed

    Chen, Hsin-Chen; Jia, Wenyan; Li, Zhaoxin; Sun, Yung-Nien; Sun, Mingui

    2012-12-31

    Image-based dietary assessment is important for health monitoring and management because it can provide quantitative and objective information, such as food volume, nutrition type, and calorie intake. In this paper, a new framework, 3D/2D model-to-image registration, is presented for estimating food volume from a single-view 2D image containing a reference object (i.e., a circular dining plate). First, the food is segmented from the background image based on Otsu's thresholding and morphological operations. Next, the food volume is obtained from a user-selected, 3D shape model. The position, orientation and scale of the model are optimized by a model-to-image registration process. Then, the circular plate in the image is fitted and its spatial information is used as constraints for solving the registration problem. Our method takes the global contour information of the shape model into account to obtain a reliable food volume estimate. Experimental results using regularly shaped test objects and realistically shaped food models with known volumes both demonstrate the effectiveness of our method.

  16. Uncertainties in modelling Mt. Pinatubo eruption with 2-D AER model and CCM SOCOL

    NASA Astrophysics Data System (ADS)

    Kenzelmann, P.; Weisenstein, D.; Peter, T.; Luo, B. P.; Rozanov, E.; Fueglistaler, S.; Thomason, L. W.

    2009-04-01

    Large volcanic eruptions may introduce a strong forcing on climate. They challenge the skills of climate models. In addition to the short time attenuation of solar light by ashes the formation of stratospheric sulphate aerosols, due to volcanic sulphur dioxide injection into the lower stratosphere, may lead to a significant enhancement of the global albedo. The sulphate aerosols have a residence time of about 2 years. As a consequence of the enhanced sulphate aerosol concentration both the stratospheric chemistry and dynamics are strongly affected. Due to absorption of longwave and near infrared radiation the temperature in the lower stratosphere increases. So far chemistry climate models overestimate this warming [Eyring et al. 2006]. We present an extensive validation of extinction measurements and model runs of the eruption of Mt. Pinatubo in 1991. Even if Mt. Pinatubo eruption has been the best quantified volcanic eruption of this magnitude, the measurements show considerable uncertainties. For instance the total amount of sulphur emitted to the stratosphere ranges from 5-12 Mt sulphur [e.g. Guo et al. 2004, McCormick, 1992]. The largest uncertainties are in the specification of the main aerosol cloud. SAGE II, for instance, could not measure the peak of the aerosol extinction for about 1.5 years, because optical termination was reached. The gap-filling of the SAGE II [Thomason and Peter, 2006] using lidar measurements underestimates the total extinctions in the tropics for the first half year after the eruption by 30% compared to AVHRR [Rusell et. al 1992]. The same applies to the optical dataset described by Stenchikov et al. [1998]. We compare these extinction data derived from measurements with extinctions derived from AER 2D aerosol model calculations [Weisenstein et al., 2007]. Full microphysical calculations with injections of 14, 17, 20 and 26 Mt SO2 in the lower stratosphere were performed. The optical aerosol properties derived from SAGE II

  17. A New Approach to Calculate Indirect GWPs using the UIUC 2-D CRT and RTM Model

    NASA Astrophysics Data System (ADS)

    Li, Y.; Youn, D.; Patten, K.; Wuebbles, D.

    2006-12-01

    Global warming potentials (GWPs) are defined to be the total impact over time of adding a unit mass of a greenhouse gas to the atmosphere. Indirect GWPs are due to ozone depletion effects in the stratosphere for a certain compound and therefore stand for the long-term global cooling effects. Previously, indirect GWPs were calculated using a box model, which was not able to consider the complex processes in the atmosphere. As a step towards obtaining indirect GWPs through a more robust approach, the UIUC 2-D CRT model was used as the computational tool to derive ozone changes. The 2-D model has more realistic chemical, physical, and dynamical processes in the atmosphere and a relatively complete transport system, which makes it useful for a more accurate analysis. Furthermore, the University of Illinois at Urbana-Champaign (UIUC) radiative transfer model (RTM) is employed to derive the corresponding time-dependent radiative forcings from the 2-D CRT outputs. Two Halon compounds, Halon-1211 and Halon-1301, were selected to be studied for their indirect GWPs. The results showed that instantaneous and stratospheric adjusted indirect GWPs for a 100-year horizon are -10004.8 and -10237.1 for Halon-1211, while for Halon-1301 they are -19218.0 and -19627.6. The indirect GWPs for Halon-1211 and -1301 presented here are two to three times smaller compared to the results in WMO (2006) draft. Further analysis on indirect GWPs will be carried out using our 3-D MOZART-3 model.

  18. RVE Model with Porosity for 2D Woven CVI SiCf/SiC Composites

    NASA Astrophysics Data System (ADS)

    Shen, Xiuli; Gong, Longdong

    2016-12-01

    A representative volume element (RVE) model with porosity for 2D woven chemical vapor infiltration (CVI) SiCf/SiC composites is presented, and its mechanical properties are analyzed. Samples are divided after a tensile test, and their cross sections are scanned with a scanning electron microscope. The size of the feature structure of the RVE model is determined based on the measurement statistics of the feature structure parameters. In accordance with CVI technology, the deposition rates of the matrix in each direction along the surface of fiber bundles are assumed to be similar. The porosity structure is formed naturally when the RVE model is established. The RVE model conforms to the real structure and accurately shows the location and geometric shape of internal porosity. The relative error of the tensile modulus value estimated from the RVE model through the asymptotic expansion homogenization method and experimental data is 3.26%. Therefore, the RVE model is accurate and efficient.

  19. Quantitative Proteomic and Phosphoproteomic Comparison of 2D and 3D Colon Cancer Cell Culture Models.

    PubMed

    Yue, Xiaoshan; Lukowski, Jessica K; Weaver, Eric M; Skube, Susan B; Hummon, Amanda B

    2016-12-02

    Cell cultures are widely used model systems. Some immortalized cell lines can be grown in either two-dimensional (2D) adherent monolayers or in three-dimensional (3D) multicellular aggregates, or spheroids. Here, the quantitative proteome and phosphoproteome of colon carcinoma HT29 cells cultures in 2D monolayers and 3D spheroids were compared with a stable isotope labeling of amino acids (SILAC) labeling strategy. Two biological replicates from each sample were examined, and notable differences in both the proteome and the phosphoproteome were determined by nanoliquid chromatography tandem mass spectrometry (LC-MS/MS) to assess how growth configuration affects molecular expression. A total of 5867 protein groups, including 2523 phosphoprotein groups and 8733 phosphopeptides were identified in the samples. The Gene Ontology analysis revealed enriched GO terms in the 3D samples for RNA binding, nucleic acid binding, enzyme binding, cytoskeletal protein binding, and histone binding for their molecular functions (MF) and in the process of cell cycle, cytoskeleton organization, and DNA metabolic process for the biological process (BP). The KEGG pathway analysis indicated that 3D cultures are enriched for oxidative phosphorylation pathways, metabolic pathways, peroxisome pathways, and biosynthesis of amino acids. In contrast, analysis of the phosphoproteomes indicated that 3D cultures have decreased phosphorylation correlating with slower growth rates and lower cell-to-extracellular matrix interactions. In sum, these results provide quantitative assessments of the effects on the proteome and phosphoproteome of culturing cells in 2D versus 3D cell culture configurations.

  20. INTERACTIONS BETWEEN TOPOGRAPHY AND ROUGHNESS IN A 2D RASTER-BASED HYDRAULIC MODEL

    NASA Astrophysics Data System (ADS)

    Casas, M.; Yu, D.; Lane, S. N.; Benito-Ferrandez, G.

    2009-12-01

    Analysis of river flow using hydraulic modelling and its implications in derived environmental applications are inextricably connected with the way in which the river boundary shape is represented. This relationship is scale-dependent upon the modelling resolution which in turn determines the importance of a subscale performance of the model and the way subscale (surface and flow) processes are parameterised. This work aims to explore scaling effects associated with the parameterisation of topography and roughness (i.e. surface at different scales) and possible interactions between its components (mesh resolution, topographic content of the DEM and roughness parameterisation) within a 2D raster-based diffusion-wave model. A distributed roughness variable which is scale dependent on the mesh resolution and the surface roughness of the DEM is incorporated to the hydraulic model. The roughness parameterisation is carried out on the basis of a LiDAR-derived vegetation height model and applied in a raster based 2D diffusion wave model. Topographic models with different topographic contents and a constant mesh resolution are generated using LiDAR data and different vertical thresholds. Five DEMs are generated with different topographic contents (±Δz), (DEM±5cm, DEM±10cm, DEM±25cm, DEM±50cm) and four mesh resolutions (1, 2, 4 and 8m) are assessed. A sensitivity analysis on the model results to mesh resolution due to interpolation and resampling procedures of topographic data is performed. Interactions between topographic and roughness parameterisation are related to model results and finally, geostatistical methods are used to document scaling effects in hydraulic modelling results and model performance. This method explicitly recognises the three-way interaction between the discretised mesh resolution and the topographic content in the DEM with the roughness parameterisation. The work shows how the subscale behaviour of the 2D hydraulic model is not well

  1. Calibration of denitrifying activity of polyphosphate accumulating organisms in an extended ASM2d model.

    PubMed

    García-Usach, F; Ribes, J; Ferrer, J; Seco, A

    2010-10-01

    This paper presents the results of an experimental study for the modelling and calibration of denitrifying activity of polyphosphate accumulating organisms (PAOs) in full-scale WWTPs that incorporate simultaneous nitrogen and phosphorus removal. The convenience of using different yields under aerobic and anoxic conditions for modelling biological phosphorus removal processes with the ASM2d has been demonstrated. Thus, parameter η(PAO) in the model is given a physical meaning and represents the fraction of PAOs that are able to follow the DPAO metabolism. Using stoichiometric relationships, which are based on assumed biochemical pathways, the anoxic yields considered in the extended ASM2d can be obtained as a function of their respective aerobic yields. Thus, this modification does not mean an extra calibration effort to obtain the new parameters. In this work, an off-line calibration methodology has been applied to validate the model, where general relationships among stoichiometric parameters are proposed to avoid increasing the number of parameters to calibrate. The results have been validated through a UCT scheme pilot plant that is fed with municipal wastewater. The good concordance obtained between experimental and simulated values validates the use of anoxic yields as well as the calibration methodology. Deterministic modelling approaches, together with off-line calibration methodologies, are proposed to assist in decision-making about further process optimization in biological phosphate removal, since parameter values obtained by off-line calibration give valuable information about the activated sludge process such as the amount of DPAOs in the system.

  2. Modeling the Elastic Modulus of 2D Woven CVI SiC Composites

    NASA Technical Reports Server (NTRS)

    Morscher, Gregory N.

    2006-01-01

    The use of fiber, interphase, CVI SiC minicomposites as structural elements for 2D-woven SiC fiber reinforced chemically vapor infiltrated (CVI) SiC matrix composites is demonstrated to be a viable approach to model the elastic modulus of these composite systems when tensile loaded in an orthogonal direction. The 0deg (loading direction) and 90deg (perpendicular to loading direction) oriented minicomposites as well as the open porosity and excess SiC associated with CVI SiC composites were all modeled as parallel elements using simple Rule of Mixtures techniques. Excellent agreement for a variety of 2D woven Hi-Nicalon(TradeMark) fiber-reinforced and Sylramic-iBN reinforced CVI SiC matrix composites that differed in numbers of plies, constituent content, thickness, density, and number of woven tows in either direction (i.e, balanced weaves versus unbalanced weaves) was achieved. It was found that elastic modulus was not only dependent on constituent content, but also the degree to which 90deg minicomposites carried load. This depended on the degree of interaction between 90deg and 0deg minicomposites which was quantified to some extent by composite density. The relationships developed here for elastic modulus only necessitated the knowledge of the fractional contents of fiber, interphase and CVI SiC as well as the tow size and shape. It was concluded that such relationships are fairly robust for orthogonally loaded 2D woven CVI SiC composite system and can be implemented by ceramic matrix composite component modelers and designers for modeling the local stiffness in simple or complex parts fabricated with variable constituent contents.

  3. Using 2D and 3D Modeling to Infer the Depth of the Okavango Dyke Swarm

    NASA Astrophysics Data System (ADS)

    Dailey, M. K.; Mortimer, D.; Atekwana, E. A.

    2009-12-01

    The 179 Ma N110°-striking Okavango Dyke swarm (ODS) extends from southern Zimbabwe for approximately 1500 km northwest into Namibia. The emplacement of dyke swarms is typically associated with the initiation of continental breakup and has been suggested that ODS was emplaced during the breakup of Gondwana along an existing zone of weakness. However, the understanding of how these giant dyke swarms are emplaced over large distances for hundreds of kilometers is limited- do these giant dike swarms propagate from a single source for hundreds of kilometers or do they propagate from sub-crustal magma chambers along a zone of weakness? To address these questions we investigated the ODS in northern Botswana. The dyke swarm is exposed at the surface in the east close to its origin but is buried in the northwest within the Okavango Rift Zone. Using airborne magnetic and ground gravity survey data along with rock property data from the exposed sections, 2D and 3D models were created in order to determine the depth of the dyke swarm. Initially several 2D models were used to test hypothesis of varying depths and rock parameters. The 2D models were then used to ‘seed’ the 3D models with similar density, susceptibility, and depth parameters. The dykes appear to have relatively shallow and finite depths, in the range of 2 to 5 km deep. These results are consistent with a lateral emplacement stemming from the failed triple junction and thus ruling out an infinite depth extent which would have been the case if the dykes were propagated vertically from sub-crustal magma chambers.

  4. An Implicit 2-D Depth-Averaged Finite-Volume Model of Flow and Sediment Transport in Coastal Waters

    DTIC Science & Technology

    2010-01-01

    Two-dimensional depth-averaged circulation model CMS- M2D : Version 3.0, Report 2: Sediment transport and morphology change, Technical Report ERDC/CHL TR...dimensional depth-averaged circulation model M2D : Version 2.0, Report 1, Technical documentation and user’s guide. ERDC/CHL TR-04-2, Coastal and Hydraulics

  5. A solidification constitutive model for NIKE2D and NIKE3D

    SciTech Connect

    Raboin, P.J.

    1994-03-17

    This memo updates the current status of a solidification material model development which has been underway for more than a year. Significant modeling goals such as predicting cut-off stresses, thermo-elasto-plasticity, strain rate dependent plasticity and dynamic recovery have been completed. The model is called SOLMAT for solidification material model, and while developed for NIKE2D, it has already been implemented in NIKE3D and NIT03D by B. Maker. This memo details the future development strategy of SOLMAT including liquid and solid constitutive improvements, coupling of deviatoric and dilatational deformation and a plan to switch between constitutive theories. It explains some of the difficulties associated solidification modeling and proposes two experiments to measure properties for using SOLMAT. Due to the sensitive nature of these plans in relation to programmatic and CRADA concerns, this memo should be treated as confidential document.

  6. An Integrative Model of Excitation Driven Fluid Flow in a 2D Uterine Channel

    NASA Astrophysics Data System (ADS)

    Maggio, Charles; Fauci, Lisa; Chrispell, John

    2009-11-01

    We present a model of intra-uterine fluid flow in a sagittal cross-section of the uterus by inducing peristalsis in a 2D channel. This is an integrative multiscale computational model that takes as input fluid viscosity, passive tissue properties of the uterine channel and a prescribed wave of membrane depolarization. This voltage pulse is coupled to a model of calcium dynamics inside a uterine smooth muscle cell, which in turn drives a kinetic model of myosin phosphorylation governing contractile muscle forces. Using the immersed boundary method, these muscle forces are communicated to a fluid domain to simulate the contractions which occur in a human uterus. An analysis of the effects of model parameters on the flow properties and emergent geometry of the peristaltic channel will be presented.

  7. 2D lattice model of a lipid bilayer: Microscopic derivation and thermodynamic exploration

    NASA Astrophysics Data System (ADS)

    Hakobyan, Davit; Heuer, Andreas

    2017-02-01

    Based on all-atom Molecular Dynamics (MD) simulations of a lipid bilayer we present a systematic mapping on a 2D lattice model. Keeping the lipid type and the chain order parameter as key variables we derive a free energy functional, containing the enthalpic interaction of adjacent lipids as well as the tail entropy. The functional form of both functions is explicitly determined for saturated and polyunsaturated lipids. By studying the lattice model via Monte Carlo simulations it is possible to reproduce the temperature dependence of the distribution of order parameters of the pure lipids, including the prediction of the gel transition. Furthermore, application to a mixture of saturated and polyunsaturated lipids yields the correct phase separation behavior at lower temperatures with a simulation time reduced by approximately 7 orders of magnitude as compared to the corresponding MD simulations. Even the time-dependence of the de-mixing is reproduced on a semi-quantitative level. Due to the generality of the approach we envisage a large number of further applications, ranging from modeling larger sets of lipids, sterols, and solvent proteins to predicting nucleation barriers for the melting of lipids. Particularly, from the properties of the 2D lattice model one can directly read off the enthalpy and entropy change of the 1,2-dipalmitoyl-sn-glycero-3-phosphocholine gel-to-liquid transition in excellent agreement with experimental and MD results.

  8. Evaluation of Hydrus-2D model for solute distribution in subsurface drip

    NASA Astrophysics Data System (ADS)

    Souza, Claudinei; Bizari, Douglas; Grecco, Katarina

    2015-04-01

    The competition for water use between agriculture, industry and population has become intense over the years, requiring a rational use of this resource for food production. The subsurface drip irrigation can help producers with the optimization of operating parameters such as frequency and duration of irrigation, flow, spacing and depth of the dripper installation. This information can be obtained by numerical simulations using mathematical models, thus the aim of this study was to evaluate the HYDRUS-2D model from experimental data to predict the size of the wet bulbs generated by emitters of different application rates (1.0 and 1.6 L h-1). The results showed that horizontal displacement (bulb diameter) remained the largest in all the bulbs, observed both in experimental trials and estimated by the model and the correlation between them was high, above 0.90 to below 16% error. We conclude that the HYDRUS-2D model can be used to estimate the dimensions of the wet bulb getting new information on the sizing of the irrigation system.

  9. Bernstein copula approach to model direction-length dependency for 2D discrete fracture network simulation

    NASA Astrophysics Data System (ADS)

    Mendoza-Torres, F.; Diaz-Viera, M. A.

    2015-12-01

    In many natural fractured porous media, such as aquifers, soils, oil and geothermal reservoirs, fractures play a crucial role in their flow and transport properties. An approach that has recently gained popularity for modeling fracture systems is the Discrete Fracture Network (DFN) model. This approach consists in applying a stochastic boolean simulation method, also known as object simulation method, where fractures are represented as simplified geometric objects (line segments in 2D and polygons in 3D). One of the shortcomings of this approach is that it usually does not consider the dependency relationships that may exist between the geometric properties of fractures (direction, length, aperture, etc), that is, each property is simulated independently. In this work a method for modeling such dependencies by copula theory is introduced. In particular, a nonparametric model using Bernstein copulas for direction-length fracture dependency in 2D is presented. The application of this method is illustrated in a case study for a fractured rock sample from a carbonate reservoir outcrop.

  10. Momentum Transport: 2D and 3D Cloud Resolving Model Simulations

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo

    2001-01-01

    The major objective of this study is to investigate the momentum budgets associated with several convective systems that developed during the TOGA COARE IOP (west Pacific warm pool region) and GATE (east Atlantic region). The tool for this study is the improved Goddard Cumulas Ensemble (GCE) model which includes a 3-class ice-phase microphysical scheme, explicit cloud radiative interactive processes and air-sea interactive surface processes. The model domain contains 256 x 256 grid points (with 2 km resolution) in the horizontal and 38 grid points (to a depth of 22 km) in the vertical. The 2D domain has 1024 grid points. The simulations were performed over a 7-day time period (December 19-26, 1992, for TOGA COARE and September 1-7, 1994 for GATE). Cyclic literal boundary conditions are required for this type of long-term integration. Two well organized squall systems (TOGA, COARE February 22, 1993, and GATE September 12, 1994) were also simulated using the 3D GCE model. Only 9 h simulations were required to cover the life time of the squall systems. the lateral boundary conditions were open for these two squall systems simulations. the following will be examined: (1) the momentum budgets in the convective and stratiform regions, (2) the relationship between momentum transport and cloud organization (i.e., well organized squall lines versus less organized convective), (3) the differences and similarities in momentum transport between 2D and 3D simulated convective systems, and (4) the differences and similarities in momentum budgets between cloud systems simulated with open and cyclic lateral boundary conditions. Preliminary results indicate that there are only small differences between 2D and 3D simulated momentum budgets. Major differences occur, however, between momentum budgets associated with squall systems simulated using different lateral boundary conditions.

  11. An interactive 2-D power-line modeling and simulation tool

    NASA Astrophysics Data System (ADS)

    Hull, David; Adelman, Ross

    2012-06-01

    The U.S. Army Research Laboratory's Power-Line unmanned aerial vehicle (UAV) Modeling and Simulation (ARL-PLUMS) is a tool for estimating and analyzing quasi-static electric and magnetic fields due to power lines. This tool consists of an interactive 2-D graphical user interface (GUI) and a compute engine that can be used to calculate and visualize the E-Field and H-Field due to as many as seven conductors (two 3-phase circuits and a ground wire). ARL-PLUMS allows the user to set the geometry of the lines and the load conditions on those lines, and then calculate Ey, Ez, Hy, or Hz along a linear path or cutting plane, or in the form of a movie. The path can be along the ground or in the air to simulate the fields that might be observed, for example, by a robotic vehicle or a UAV. ARL-PLUMS makes several simplifying assumptions in order to allow simulations to be completed on a laptop PC interactively. In most cases, the results are excellent, providing a "90% solution" in just a few minutes of total modeling and simulation time. This paper describes the physics used by ARL-PLUMS, including the simplifying assumptions and the 2-D Method of Moments solver. Examples of electric and magnetic fields for different wire configurations, including typical 3-phase distribution and transmissions lines, are provided. Comparisons to similar results using a full 3-D model are also shown, and a discussion of errors that may be expected from the 2-D simulations is provided.

  12. JetCurry: Modeling 3D geometry of AGN jets from 2D images

    NASA Astrophysics Data System (ADS)

    Kosak, Katie; Li, KunYang; Avachat, Sayali S.; Perlman, Eric S.

    2017-02-01

    Written in Python, JetCurry models the 3D geometry of jets from 2-D images. JetCurry requires NumPy and SciPy and incorporates emcee (ascl:1303.002) and AstroPy (ascl:1304.002), and optionally uses VPython. From a defined initial part of the jet that serves as a reference point, JetCurry finds the position of highest flux within a bin of data in the image matrix and fits along the x axis for the general location of the bends in the jet. A spline fitting is used to smooth out the resulted jet stream.

  13. JetCurry: Modeling 3D geometry of AGN jets from 2D images

    NASA Astrophysics Data System (ADS)

    Li, Kunyang; Kosak, Katie; Avachat, Sayali S.; Perlman, Eric S.

    2017-02-01

    Written in Python, JetCurry models the 3D geometry of AGN jets from 2-D images. JetCurry requires NumPy and SciPy and incorporates emcee (ascl:1303.002) and AstroPy (ascl:1304.002), and optionally uses VPython. From a defined initial part of the jet that serves as a reference point, JetCurry finds the position of highest flux within a bin of data in the image matrix and fits along the x axis for the general location of the bends in the jet. A spline fitting is used to smooth out the resulted jet stream.

  14. A 2D Axisymmetric Mixture Multiphase Model for Bottom Stirring in a BOF Converter

    NASA Astrophysics Data System (ADS)

    Kruskopf, Ari

    2017-02-01

    A process model for basic oxygen furnace (BOF) steel converter is in development. The model will take into account all the essential physical and chemical phenomena, while achieving real-time calculation of the process. The complete model will include a 2D axisymmetric turbulent multiphase flow model for iron melt and argon gas mixture, a steel scrap melting model, and a chemical reaction model. A novel liquid mass conserving mixture multiphase model for bubbling gas jet is introduced in this paper. In-house implementation of the model is tested and validated in this article independently from the other parts of the full process model. Validation data comprise three different water models with different volume flow rates of air blown through a regular nozzle and a porous plug. The water models cover a wide range of dimensionless number R_{{p}} , which include values that are similar for industrial-scale steel converter. The k- ɛ turbulence model is used with wall functions so that a coarse grid can be utilized. The model calculates a steady-state flow field for gas/liquid mixture using control volume method with staggered SIMPLE algorithm.

  15. Modeling of lamps through a diffuser with 2D and 3D picket-fence backlight models

    NASA Astrophysics Data System (ADS)

    Belshaw, Richard J.; Wilmott, Roger; Thomas, John T.

    2002-08-01

    Laboratory photometric measurements are taken of a display backlight one metre away from the emission surface (diffuser) with a whole acceptance angle on the photometer of about 0.125 degrees (2.182mm spot size at emission surface). A simulation method was sought to be able to obtain the brightness uniformity (luminance peak to trough ratio from above one lamp to the null between lamps in a picket-fence backlight). A 3D raytrace BackLight model in TracePro and a 2D Mathematical model in Matlab have been developed. With a specimen backlight in the laboratory, a smooth luminance profile was measured by the photometer on the diffuser surface. Ray Trace models in both 3D and 2D take too long to produce smooth 'continuous filled' distributions. The Mathematical 2D approach, although with limitations, yielded smooth solutions in a very reasonable time frame.

  16. A mathematical model incorporating the effects of detector width in 2D PET

    NASA Astrophysics Data System (ADS)

    Mair, B. A.

    2000-02-01

    For decades, the Radon transform has been used as an approximate model for two-dimensional (2D) positron emission tomography (PET). Since this model assumes that detector tubes are represented by lines (hence have no area), PET reconstruction algorithms need to be modified to account for the nonzero width of detectors. To date, these modifications have been obtained by computational methods, so fail to exhibit any inherent mathematical structure of the PET transform which takes emission intensity to detector tube means. This paper contains a precise mathematical representation of this PET transform and exploits this representation to propose a new method for reconstructing PET images. This representation is achieved by expressing the probability that an emission at a point is detected in a detector tube, in terms of the Green function and Poisson kernel for Laplace's equation on the unit disc. This new PET transform involves four weighted line integrals of the emission intensity function, instead of the single unweighted line integral defining the 2D Radon transform. Despite the complexity of this model, a reconstruction method is obtained by using classical orthogonal series representations of the emission intensity and detection means in terms of circular harmonics, Bessel functions and Chebyshev polynomials.

  17. Self-Organization in 2D Traffic Flow Model with Jam-Avoiding Drive

    NASA Astrophysics Data System (ADS)

    Nagatani, Takashi

    1995-04-01

    A stochastic cellular automaton (CA) model is presented to investigate the traffic jam by self-organization in the two-dimensional (2D) traffic flow. The CA model is the extended version of the 2D asymmetric exclusion model to take into account jam-avoiding drive. Each site contains either a car moving to the up, a car moving to the right, or is empty. A up car can shift right with probability p ja if it is blocked ahead by other cars. It is shown that the three phases (the low-density phase, the intermediate-density phase and the high-density phase) appear in the traffic flow. The intermediate-density phase is characterized by the right moving of up cars. The jamming transition to the high-density jamming phase occurs with higher density of cars than that without jam-avoiding drive. The jamming transition point p 2c increases with the shifting probability p ja. In the deterministic limit of p ja=1, it is found that a new jamming transition occurs from the low-density synchronized-shifting phase to the high-density moving phase with increasing density of cars. In the synchronized-shifting phase, all up cars do not move to the up but shift to the right by synchronizing with the move of right cars. We show that the jam-avoiding drive has an important effect on the dynamical jamming transition.

  18. Persistence of energy-dependent localization in the Anderson-Hubbard model with increasing system size and doping

    NASA Astrophysics Data System (ADS)

    Daley, P.; Wortis, R.

    2016-05-01

    Non-interacting systems with bounded disorder have been shown to exhibit sharp density of state peaks at the band edge which coincide with an energy range of abruptly suppressed localization. Recent work has shown that these features also occur in the presence of on-site interactions in ensembles of two-site Anderson-Hubbard systems at half filling. Here we demonstrate that this effect in interacting systems persists away from half filling, and moreover that energy regions with suppressed localization continue to appear in ensembles of larger systems despite a loss of sharp features in the density of states.

  19. A comparative 2D modeling of debris-flow propagation and outcomes for end-users

    NASA Astrophysics Data System (ADS)

    Bettella, F.; Bertoldi, G.; Pozza, E.; McArdell, B. W.; D'Agostino, V.

    2012-04-01

    In Alpine regions gravity-driven natural hazards, in particular debris flows, endanger settlements and human life. Mitigation strategies based on hazard maps are necessary tools for land planning. These maps can be made more precise by using numerical models to forecasting the inundated areas after a careful setting of those 'key parameters' (K-P) which directly affect the flow motion and its interaction with the ground surface. Several physically based 2D models are available for practitioners and governmental agencies, but the selection criteria of model type and of the related K-P remain flexible and partly subjective. This remark has driven us to investigate how different models simulate different types of debris flows (from granular to muddy debris flows, going through intermediate types), in particular when the flow is influenced by the presence of deposition basins. Two commercial 2D physical models (RAMMS and FLO-2D) have been tested for five well-documented debris flows events from five Italian catchments were different geology and flow dynamics are observed: 1) a viscous debris flow occurred in 2009 in a catchment with a metamorphic geology (Gadria torrent, Bolzano Province); 2) the 2009 granular debris flow in an granitic geological setting (Rio Dosson, Trento Province); 3-4) two events occurred in the 'rio Val del Lago' and 'rio Molinara' (Trento Province) in 2010 where porphyritic lithology prevails (intermediate granular debris flow); 5) the Rotolon torrent (Vicenza Province) 2009 debris flow containing sedimentary rocks enclosed in an abundant clay-rich matrix (intermediate viscous case). Event volumes range from 5.000 to 50.000 cubic meters. The Gadria, Rotolon and Val del Lago events are also influenced by artificial retention basins. Case study simulations allowed delineation of some practical end-user suggestions and good practices in order to guide the model choice and the K-P setting, particularly related to different flow dynamics. The

  20. Kinetic parameter estimation in N. europaea biofilms using a 2-D reactive transport model.

    PubMed

    Lauchnor, Ellen G; Semprini, Lewis; Wood, Brian D

    2015-06-01

    Biofilms of the ammonia oxidizing bacterium Nitrosomonas europaea were cultivated to study microbial processes associated with ammonia oxidation in pure culture. We explored the hypothesis that the kinetic parameters of ammonia oxidation in N. europaea biofilms were in the range of those determined with batch suspended cells. Oxygen and pH microelectrodes were used to measure dissolved oxygen (DO) concentrations and pH above and inside biofilms and reactive transport modeling was performed to simulate the measured DO and pH profiles. A two dimensional (2-D) model was used to simulate advection parallel to the biofilm surface and diffusion through the overlying fluid while reaction and diffusion were simulated in the biofilm. Three experimental studies of microsensor measurements were performed with biofilms: i) NH3 concentrations near the Ksn value of 40 μM determined in suspended cell tests ii) Limited buffering capacity which resulted in a pH gradient within the biofilms and iii) NH3 concentrations well below the Ksn value. Very good fits to the DO concentration profiles both in the fluid above and in the biofilms were achieved using the 2-D model. The modeling study revealed that the half-saturation coefficient for NH3 in N. europaea biofilms was close to the value measured in suspended cells. However, the third study of biofilms with low availability of NH3 deviated from the model prediction. The model also predicted shifts in the DO profiles and the gradient in pH that resulted for the case of limited buffering capacity. The results illustrate the importance of incorporating both key transport and chemical processes in a biofilm reactive transport model.

  1. Shaking Duration and Resonance Frequencies From 2d Hybrid Modelling For The Region of Cologne (germany)

    NASA Astrophysics Data System (ADS)

    Richwalski, S. M.; Parolai, S.; Wang, R.; Roth, F.

    The effect of sedimentary basins on the seismic wavefield is mainly twofold: The shaking at resonance frequencies is amplified and the shaking duration is increased. We study these effects for the area of Cologne (Germany), which is situated in the Lower Rhine Embayment. This is an active tectonic region with a horst/graben struc- ture where moderate sized earthquakes occur along the fault systems. The Erft fault system for example, with the closest surface exposure only 15 km West of the city of Cologne and its high concentration of industrial facilities, is the most important po- tential fault (Ahorner, 2001, DGG Mittlg., 2, p 3). This research is part of the German Research Network for Natural Disasters (DFNK) which aims at an integrated approach for assessing the seismic hazard in this region. Seismic modelling may aid the mitigation of earthquake risk by providing shaking sce- narios for possible source locations and parameters. For modelling, we use a hybrid technique, which combines an improved Thomson-Haskell algorithm (Wang, 1999, BSSA, p 733) with a 2D finite-difference algorithm (Zahradník and Moczo, 1996, PAGEOPH, p 21). This allows for including realistic sources, a regional background model, and a detailed near surface model for the basin. The increase in the shaking duration is already visible in the seismograms but bet- ter visualised by sonograms that show the distribution of the spectral energy in time. Resonance frequencies can be identified using the classical spectral ratio method. The necessary reference site can be created by repeating the modelling using only the re- gional background model but not the basin structure. We also compare the results of 1D and 2D modelling.

  2. Assessing soil fluxes using meteoric 10Be: development and application of the Be2D model

    NASA Astrophysics Data System (ADS)

    Campforts, Benjamin; Govers, Gerard; Vanacker, Veerle; Baken, Stijn; Smolders, Erik; Vanderborght, Jan

    2015-04-01

    Meteoric 10Be is a promising and increasingly popular tool to better understand soil fluxes at different timescales. Unlike other, more classical, methods such as the study of sedimentary archives it enables a direct coupling between eroding and deposition sites. However, meteoric 10Be can be mobilized within the soil. Therefore, spatial variations in meteoric 10Be inventories cannot directly be translated into spatial variations in erosion and sedimentation rates: a correct interpretation of measured 10Be inventories requires that both lateral and vertical movement of meteoric 10Be are accounted for. Here, we present a spatially explicit 2D model that allows to simulate the behaviour of meteoric 10Be in the soil system over timescales of up to 1 million year and use the model to investigate the impact of accelerated erosion on meteoric 10Be inventories. The model consists of two parts. A first component deals with advective and diffusive mobility within the soil profile, whereas a second component describes lateral soil (and meteoric 10Be) fluxes over the hillslope. Soil depth is calculated dynamically, accounting for soil production through weathering and lateral soil fluxes. Different types of erosion such as creep, water and tillage erosion are supported. Model runs show that natural soil fluxes can be well reconstructed based on meteoric 10Be inventories, and this for a wide range of geomorphological and pedological conditions. However, extracting signals of human impact and distinguishing them from natural soil fluxes is only feasible when the soil has a rather high retention capacity so that meteoric 10Be is retained in the top soil layer. Application of the Be2D model to an existing data set in the Appalachian Mountains [West et al.,2013] using realistic parameter values for the soil retention capacity as well as for vertical advection resulted in a good agreement between simulated and observed 10Be inventories. This confirms the robustness of the model. We

  3. Well-posedness and generalized plane waves simulations of a 2D mode conversion model

    SciTech Connect

    Imbert-Gérard, Lise-Marie

    2015-12-15

    Certain types of electro-magnetic waves propagating in a plasma can undergo a mode conversion process. In magnetic confinement fusion, this phenomenon is very useful to heat the plasma, since it permits to transfer the heat at or near the plasma center. This work focuses on a mathematical model of wave propagation around the mode conversion region, from both theoretical and numerical points of view. It aims at developing, for a well-posed equation, specific basis functions to study a wave mode conversion process. These basis functions, called generalized plane waves, are intrinsically based on variable coefficients. As such, they are particularly adapted to the mode conversion problem. The design of generalized plane waves for the proposed model is described in detail. Their implementation within a discontinuous Galerkin method then provides numerical simulations of the process. These first 2D simulations for this model agree with qualitative aspects studied in previous works.

  4. The concept models and implementations of multiport neural net associative memory for 2D patterns

    NASA Astrophysics Data System (ADS)

    Krasilenko, Vladimir G.; Nikolskyy, Aleksandr I.; Yatskovskaya, Rimma A.; Yatskovsky, Victor I.

    2011-04-01

    The paper considers neural net models and training and recognizing algorithms with base neurobiologic operations: p-step autoequivalence and non-equivalenc The Modified equivalently models (MEMs) of multiport neural net associative memory (MNNAM) are offered with double adaptive - equivalently weighing (DAEW) for recognition of 2D-patterns (images). It is shown, the computing process in MNNAM under using the proposed MEMs, is reduced to two-step and multi-step algorithms and step-by-step matrix-matrix (tensor-tensor) procedures. The given results of computer simulations confirmed the perspective of such models. Besides the result was received when MNNAM capacity on base of MEMs exceeded the amount of neurons.

  5. Analysis of stochastic phenomena in 2D Hindmarsh-Rose neuron model

    NASA Astrophysics Data System (ADS)

    Bashkirtseva, I.; Ryashko, L.; Slepukhina, E.

    2016-10-01

    In mathematical research of neuronal activity, conceptual models play an important role. We consider 2D Hindmarsh-Rose model, which exhibits the fundamental property of neuron, the excitability. We study how random disturbances affect this property. The effects of noise are analysed in the parametric zone where the deterministic model is characterized by the coexistence of two stable equilibria. We show that under random disturbances, noise-induced transitions between the attractors occur, forming a new complex dynamic regime of stochastic bursting. It is confirmed by changes of distribution of random trajectories and interspike intervals. For the analysis of this noise-induced phenomenon, we apply the stochastic sensitivity technique and confidence domains method. We suggest a method for estimation of threshold noise intensity corresponding to the onset of noise-induced bursting. We show that the obtained values are in a good agreement with direct numerical simulations.

  6. Longtime Well-posedness for the 2D Groma-Balogh Model

    NASA Astrophysics Data System (ADS)

    Wan, Renhui; Chen, Jiecheng

    2016-12-01

    In this paper, we consider the cauchy problem for the 2D Groma-Balogh model (Acta Mater 47:3647-3654, 1999). From the works Cannone et al. (Arch Ration Mech Anal 196:71-96, 2010) and El Hajj (Ann Inst Henri Poincaré Anal Nonlinéaire 27:21-35, 2010), one can see global well-posedness for this model is an open question. However, we can prove longtime well-posedness. In particular, we show that this model admits a unique solution with the lifespan T^star satisfying T^star log ^2(1+T^star )≳ ɛ ^{-2} if the initial data is of size ɛ . To achieve this, we first establish some new decay estimates concerning the operator e^{-{R}_{12}^2t}. Then, we prove the longtime well-posedness by utilizing the weak dissipation to deal with the nonlinear terms.

  7. Partitioning of crustal shortening during continental collision: 2-D thermomechanical modeling

    NASA Astrophysics Data System (ADS)

    Liao, Jie; Gerya, Taras

    2017-01-01

    Partitioning of crustal shortening between the colliding continental plates is highly variable in nature. Physical controls of such variability remain largely enigmatic and require quantitative understanding. In this study, we employ 2-D thermomechanical numerical modeling to investigate the influence of the rheological properties of the continental crust on the dynamics and distribution of crustal shortening during continental collision. Three major physical parameters, (i) the mechanical strength of the upper crust, (ii) the Moho temperature, and (iii) the convergence rate, are investigated, and their influences on crustal shortening partitioning between the lower and upper plates are systematically documented. Numerical modeling results suggest that a strong upper crust of the lower plate, high Moho temperature, and slow convergence rate favor migration of crustal shortening from the lower to the upper plate. Our numerical modeling results compare well with natural observations from the Alpine orogenic system where variable partitioning of crustal deformation between the plates is documented.

  8. Efficient finite element modeling of scattering for 2D and 3D problems

    NASA Astrophysics Data System (ADS)

    Wilcox, Paul D.; Velichko, Alexander

    2010-03-01

    The scattering of waves by defects is central to ultrasonic NDE and SHM. In general, scattering problems must be modeled using direct numerical methods such as finite elements (FE), which is very computationally demanding. The most efficient way is to only model the scatterer itself and a minimal region of the surrounding host medium, and this was previously demonstrated for 2-dimensional (2D) bulk wave scattering problems in isotropic media. An encircling array of monopole and dipole sources is used to inject an arbitrary wavefront onto the scatterer and the scattered field is monitored by a second encircling array of monitoring points. From this data, the scattered field can be projected out to any point in space. If the incident wave is chosen to be a plane wave incident from a given angle and the scattered field is projected to distant points in the far-field of the scatterer, the far-field scattering or S-matrix may be obtained, which encodes all the available scattering information. In this paper, the technique is generalized to any elastic wave geometry in both 2D and 3D, where the latter can include guided wave scattering problems. A further refinement enables the technique to be employed with free FE meshes of triangular or tetrahedral elements.

  9. Laser irradiated fluorescent perfluorocarbon microparticles in 2-D and 3-D breast cancer cell models

    PubMed Central

    Niu, Chengcheng; Wang, Long; Wang, Zhigang; Xu, Yan; Hu, Yihe; Peng, Qinghai

    2017-01-01

    Perfluorocarbon (PFC) droplets were studied as new generation ultrasound contrast agents via acoustic or optical droplet vaporization (ADV or ODV). Little is known about the ODV irradiated vaporization mechanisms of PFC-microparticle complexs and the stability of the new bubbles produced. In this study, fluorescent perfluorohexane (PFH) poly(lactic-co-glycolic acid) (PLGA) particles were used as a model to study the process of particle vaporization and bubble stability following excitation in two-dimensional (2-D) and three-dimensional (3-D) cell models. We observed localization of the fluorescent agent on the microparticle coating material initially and after vaporization under fluorescence microscopy. Furthermore, the stability and growth dynamics of the newly created bubbles were observed for 11 min following vaporization. The particles were co-cultured with 2-D cells to form 3-D spheroids and could be vaporized even when encapsulated within the spheroids via laser irradiation, which provides an effective basis for further work. PMID:28262671

  10. Modeling and 2-D discrete simulation of dislocation dynamics for plastic deformation of metal

    NASA Astrophysics Data System (ADS)

    Liu, Juan; Cui, Zhenshan; Ou, Hengan; Ruan, Liqun

    2013-05-01

    Two methods are employed in this paper to investigate the dislocation evolution during plastic deformation of metal. One method is dislocation dynamic simulation of two-dimensional discrete dislocation dynamics (2D-DDD), and the other is dislocation dynamics modeling by means of nonlinear analysis. As screw dislocation is prone to disappear by cross-slip, only edge dislocation is taken into account in simulation. First, an approach of 2D-DDD is used to graphically simulate and exhibit the collective motion of a large number of discrete dislocations. In the beginning, initial grains are generated in the simulation cells according to the mechanism of grain growth and the initial dislocation is randomly distributed in grains and relaxed under the internal stress. During the simulation process, the externally imposed stress, the long range stress contribution of all dislocations and the short range stress caused by the grain boundaries are calculated. Under the action of these forces, dislocations begin to glide, climb, multiply, annihilate and react with each other. Besides, thermal activation process is included. Through the simulation, the distribution of dislocation and the stress-strain curves can be obtained. On the other hand, based on the classic dislocation theory, the variation of the dislocation density with time is described by nonlinear differential equations. Finite difference method (FDM) is used to solve the built differential equations. The dislocation evolution at a constant strain rate is taken as an example to verify the rationality of the model.

  11. A 2D Electromechanical Model of Human Atrial Tissue Using the Discrete Element Method

    PubMed Central

    Brocklehurst, Paul; Adeniran, Ismail; Yang, Dongmin; Sheng, Yong; Zhang, Henggui; Ye, Jianqiao

    2015-01-01

    Cardiac tissue is a syncytium of coupled cells with pronounced intrinsic discrete nature. Previous models of cardiac electromechanics often ignore such discrete properties and treat cardiac tissue as a continuous medium, which has fundamental limitations. In the present study, we introduce a 2D electromechanical model for human atrial tissue based on the discrete element method (DEM). In the model, single-cell dynamics are governed by strongly coupling the electrophysiological model of Courtemanche et al. to the myofilament model of Rice et al. with two-way feedbacks. Each cell is treated as a viscoelastic body, which is physically represented by a clump of nine particles. Cell aggregations are arranged so that the anisotropic nature of cardiac tissue due to fibre orientations can be modelled. Each cell is electrically coupled to neighbouring cells, allowing excitation waves to propagate through the tissue. Cell-to-cell mechanical interactions are modelled using a linear contact bond model in DEM. By coupling cardiac electrophysiology with mechanics via the intracellular Ca2+ concentration, the DEM model successfully simulates the conduction of cardiac electrical waves and the tissue's corresponding mechanical contractions. The developed DEM model is numerically stable and provides a powerful method for studying the electromechanical coupling problem in the heart. PMID:26583141

  12. Tropical Oceanic Precipitation Processes over Warm Pool: 2D and 3D Cloud Resolving Model Simulations

    NASA Technical Reports Server (NTRS)

    Tao, W.- K.; Johnson, D.

    1998-01-01

    Rainfall is a key link in the hydrologic cycle as well as the primary heat source for the atmosphere, The vertical distribution of convective latent-heat release modulates the large-scale circulations of the tropics, Furthermore, changes in the moisture distribution at middle and upper levels of the troposphere can affect cloud distributions and cloud liquid water and ice contents. How the incoming solar and outgoing longwave radiation respond to these changes in clouds is a major factor in assessing climate change. Present large-scale weather and climate models simulate cloud processes only crudely, reducing confidence in their predictions on both global and regional scales. One of the most promising methods to test physical parameterizations used in General Circulation Models (GCMS) and climate models is to use field observations together with Cloud Resolving Models (CRMs). The CRMs use more sophisticated and physically realistic parameterizations of cloud microphysical processes, and allow for their complex interactions with solar and infrared radiative transfer processes. The CRMs can reasonably well resolve the evolution, structure, and life cycles of individual clouds and cloud systems, The major objective of this paper is to investigate the latent heating, moisture and momenti,im budgets associated with several convective systems developed during the TOGA COARE IFA - westerly wind burst event (late December, 1992). The tool for this study is the Goddard Cumulus Ensemble (CCE) model which includes a 3-class ice-phase microphysical scheme, The model domain contains 256 x 256 grid points (using 2 km resolution) in the horizontal and 38 grid points (to a depth of 22 km depth) in the vertical, The 2D domain has 1024 grid points. The simulations are performed over a 7 day time period. We will examine (1) the precipitation processes (i.e., condensation/evaporation) and their interaction with warm pool; (2) the heating and moisture budgets in the convective and

  13. Dynamical modeling of sub-grid scales in 2D turbulence

    NASA Astrophysics Data System (ADS)

    Laval, Jean-Philippe; Dubrulle, Bérengère; Nazarenko, Sergey

    2000-08-01

    We develop a new numerical method which treats resolved and sub-grid scales as two different fluid components evolving according to their own dynamical equations. These two fluids are nonlinearly interacting and can be transformed one into another when their scale becomes comparable to the grid size. Equations describing the two-fluid dynamics were rigorously derived from Euler equations [B. Dubrulle, S. Nazarenko, Physica D 110 (1997) 123-138] and they do not involve any adjustable parameters. The main assumption of such a derivation is that the large-scale vortices are so strong that they advect the sub-grid scales as a passive scalar, and the interactions of small scales with small and intermediate scales can be neglected. As a test for our numerical method, we performed numerical simulations of 2D turbulence with a spectral gap, and we found a good agreement with analytical results obtained for this case by Nazarenko and Laval [Non-local 2D turbulence and passive scalars in Batchelor’s regime, J. Fluid Mech., in press]. We used the two-fluid method to study three typical problems in 2D dynamics of incompressible fluids: decaying turbulence, vortex merger and forced turbulence. The two-fluid simulations performed on at 128 2 and 256 2 resolution were compared with pseudo-spectral simulations using hyperviscosity performed at the same and at much higher resolution. This comparison shows that performance of the two-fluid method is much better than one of the pseudo-spectral method at the same resolution and comparable computational cost. The most significant improvement is observed in modeling of the small-scale component, so that effective inertial interval increases by about two decades compared to the high-resolution pseudo-spectral method. Using the two-fluid method, we demonstrated that the k-3 tail always exists for the energy spectrum, although its amplitude is slowly decreasing in decaying turbulence.

  14. Locally adaptive 2D-3D registration using vascular structure model for liver catheterization.

    PubMed

    Kim, Jihye; Lee, Jeongjin; Chung, Jin Wook; Shin, Yeong-Gil

    2016-03-01

    Two-dimensional-three-dimensional (2D-3D) registration between intra-operative 2D digital subtraction angiography (DSA) and pre-operative 3D computed tomography angiography (CTA) can be used for roadmapping purposes. However, through the projection of 3D vessels, incorrect intersections and overlaps between vessels are produced because of the complex vascular structure, which makes it difficult to obtain the correct solution of 2D-3D registration. To overcome these problems, we propose a registration method that selects a suitable part of a 3D vascular structure for a given DSA image and finds the optimized solution to the partial 3D structure. The proposed algorithm can reduce the registration errors because it restricts the range of the 3D vascular structure for the registration by using only the relevant 3D vessels with the given DSA. To search for the appropriate 3D partial structure, we first construct a tree model of the 3D vascular structure and divide it into several subtrees in accordance with the connectivity. Then, the best matched subtree with the given DSA image is selected using the results from the coarse registration between each subtree and the vessels in the DSA image. Finally, a fine registration is conducted to minimize the difference between the selected subtree and the vessels of the DSA image. In experimental results obtained using 10 clinical datasets, the average distance errors in the case of the proposed method were 2.34±1.94mm. The proposed algorithm converges faster and produces more correct results than the conventional method in evaluations on patient datasets.

  15. 2-D Modeling of Nanoscale MOSFETs: Non-Equilibrium Green's Function Approach

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, Bryan

    2001-01-01

    We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Electron-electron interaction is treated within Hartree approximation by solving NEGF and Poisson equations self-consistently. For the calculations presented here, parallelization is performed by distributing the solution of NEGF equations to various processors, energy wise. We present simulation of the "benchmark" MIT 25nm and 90nm MOSFETs and compare our results to those from the drift-diffusion simulator and the quantum-corrected results available. In the 25nm MOSFET, the channel length is less than ten times the electron wavelength, and the electron scattering time is comparable to its transit time. Our main results are: (1) Simulated drain subthreshold current characteristics are shown, where the potential profiles are calculated self-consistently by the corresponding simulation methods. The current predicted by our quantum simulation has smaller subthreshold slope of the Vg dependence which results in higher threshold voltage. (2) When gate oxide thickness is less than 2 nm, gate oxide leakage is a primary factor which determines off-current of a MOSFET (3) Using our 2-D NEGF simulator, we found several ways to drastically decrease oxide leakage current without compromising drive current. (4) Quantum mechanically calculated electron density is much smaller than the background doping density in the poly silicon gate region near oxide interface. This creates an additional effective gate voltage. Different ways to. include this effect approximately will be discussed.

  16. Be2D: A model to understand the distribution of meteoric 10Be in soilscapes

    NASA Astrophysics Data System (ADS)

    Campforts, Benjamin; Vanacker, Veerle; Vanderborght, Jan; Govers, Gerard

    2016-04-01

    Cosmogenic nuclides have revolutionised our understanding of earth surface process rates. They have become one of the standard tools to quantify soil production by weathering, soil redistribution and erosion. Especially Beryllium-10 has gained much attention due to its long half-live and propensity to be relatively conservative in the landscape. The latter makes 10Be an excellent tool to assess denudation rates over the last 1000 to 100 × 103 years, bridging the anthropogenic and geological time scale. Nevertheless, the mobility of meteoric 10Be in soil systems makes translation of meteoric 10Be inventories into erosion and deposition rates difficult. Here we present a coupled soil hillslope model, Be2D, that is applied to synthetic and real topography to address the following three research questions. (i) What is the influence of vertical meteoric Be10 mobility, caused by chemical mobility, clay translocation and bioturbation, on its lateral redistribution over the soilscape, (ii) How does vertical mobility influence erosion rates and soil residence times inferred from meteoric 10Be inventories and (iii) To what extent can a tracer with a half-life of 1.36 Myr be used to distinguish between natural and human-disturbed soil redistribution rates? The model architecture of Be2D is designed to answer these research questions. Be2D is a dynamic model including physical processes such as soil formation, physical weathering, clay migration, bioturbation, creep, overland flow and tillage erosion. Pathways of meteoric 10Be mobility are simulated using a two step approach which is updated each timestep. First, advective and diffusive mobility of meteoric 10Be is simulated within the soil profile and second, lateral redistribution because of lateral soil fluxes is calculated. The performance and functionality of the model is demonstrated through a number of synthetic and real model runs using existing datasets of meteoric 10Be from case-studies in southeastern US. Brute

  17. Estimating nitrogen losses in furrow irrigated soil amended by compost using HYDRUS-2D model

    NASA Astrophysics Data System (ADS)

    Iqbal, Shahid; Guber, Andrey; Zaman Khan, Haroon; ullah, Ehsan

    2014-05-01

    Furrow irrigation commonly results in high nitrogen (N) losses from soil profile via deep infiltration. Estimation of such losses and their reduction is not a trivial task because furrow irrigation creates highly nonuniform distribution of soil water that leads to preferential water and N fluxes in soil profile. Direct measurements of such fluxes are impractical. The objective of this study was to assess applicability of HYDRUS-2D model for estimating nitrogen balance in manure amended soil under furrow irrigation. Field experiments were conducted in a sandy loam soil amended by poultry manure compost (PMC) and pressmud compost (PrMC) fertilizers. The PMC and PrMC contained 2.5% and 0.9% N and were applied at 5 rates: 2, 4, 6, 8 and 10 ton/ha. Plots were irrigated starting from 26th day from planting using furrows with 1x1 ridge to furrow aspect ratio. Irrigation depths were 7.5 cm and time interval between irrigations varied from 8 to 15 days. Results of the field experiments showed that approximately the same corn yield was obtained with considerably higher N application rates using PMC than using PrMC as a fertilizer. HYDRUS-2D model was implemented to evaluate N fluxes in soil amended by PMC and PrMC fertilizers. Nitrogen exchange between two pools of organic N (compost and soil) and two pools of mineral N (soil NH4-N and soil NO3-N) was modeled using mineralization and nitrification reactions. Sources of mineral N losses from soil profile included denitrification, root N uptake and leaching with deep infiltration of water. HYDRUS-2D simulations showed that the observed increases in N root water uptake and corn yields associated with compost application could not be explained by the amount of N added to soil profile with the compost. Predicted N uptake by roots significantly underestimated the field data. Good agreement between simulated and field-estimated values of N root uptake was achieved when the rate of organic N mineralization was increased

  18. Destabilization of survival factor MEF2D mRNA by neurotoxin in models of Parkinson's disease.

    PubMed

    Wang, Bao; Cai, Zhibiao; Lu, Fangfang; Li, Chen; Zhu, Xiaofei; Su, Linna; Gao, Guodong; Yang, Qian

    2014-09-01

    Progressive loss of dopaminergic (DA) neurons in the substantial nigra pars compacta (SNc) is an important pathological feature in Parkinson's disease (PD). Loss of transcription factor myocyte enhancer factor 2D (MEF2D), a key neuronal survival factor, has been shown to underlie the loss of DA neurons in SNc and the pathogenic process of PD. It is known that PD-associated neurotoxins reduce the level of MEF2D protein to trigger neuronal death. Although neurotoxins clearly destabilize MEF2D by post-translational mechanisms, it is not known whether regulation of MEF2D mRNA contributes to neurotoxin-induced decrease in MEF2D protein. In this work, we showed that MPP(+), the toxic metabolite of MPTP, caused a significant decrease in the half-life and total level of MEF2D mRNA in a DA neuronal cell line, SN4741 cells. Quantitative PCR analysis of the SNc DA neurons captured by immune-laser capture microdissection showed that exposure to MPTP led to a marked reduction in the level of MEF2D mRNA in SNc DA neurons compared to controls. Down-regulation of MEF2D mRNA alone reduced the viability of SN4741 cells and sensitized the cells to MPP(+)-induced toxicity. These results suggest that destabilization and reduction in MEF2D mRNA is in part responsible for neurotoxin-induced decrease in MEF2D protein and neuronal viability. Myocyte enhancer factor 2D (MEF2D) plays an important role in neuronal survival. How MEF2D mRNA is deregulated under toxic stress is unclear. We found that PD-associated neurotoxins destabilize MEF2D mRNA and reduce its level in vitro and in vivo. Reduction in MEF2D mRNA is sufficient to sensitize model cells to neurotoxin-induced toxicity, suggesting that destabilization of MEF2D mRNA is part of the mechanism by which neurotoxins trigger deregulation of neuronal survival.

  19. A computationally efficient 2D hydraulic approach for global flood hazard modeling

    NASA Astrophysics Data System (ADS)

    Begnudelli, L.; Kaheil, Y.; Sanders, B. F.

    2014-12-01

    We present a physically-based flood hazard model that incorporates two main components: a hydrologic model and a hydraulic model. For hydrology we use TOPNET, a more comprehensive version of the original TOPMODEL. To simulate flood propagation, we use a 2D Godunov-type finite volume shallow water model. Physically-based global flood hazard simulation poses enormous computational challenges stemming from the increasingly fine resolution of available topographic data which represents the key input. Parallel computing helps to distribute the computational cost, but the computationally-intensive hydraulic model must be made far faster and agile for global-scale feasibility. Here we present a novel technique for hydraulic modeling whereby the computational grid is much coarser (e.g., 5-50 times) than the available topographic data, but the coarse grid retains the storage and conveyance (cross-sectional area) of the fine resolution data. This allows the 2D hydraulic model to be run on extremely large domains (e.g. thousands km2) with a single computational processor, and opens the door to global coverage with parallel computing. The model also downscales the coarse grid results onto the high-resolution topographic data to produce fine-scale predictions of flood depths and velocities. The model achieves computational speeds typical of very coarse grids while achieving an accuracy expected of a much finer resolution. In addition, the model has potential for assimilation of remotely sensed water elevations, to define boundary conditions based on water levels or river discharges and to improve model results. The model is applied to two river basins: the Susquehanna River in Pennsylvania, and the Ogeechee River in Florida. The two rivers represent different scales and span a wide range of topographic characteristics. Comparing spatial resolutions ranging between 30 m to 500 m in both river basins, the new technique was able to reduce simulation runtime by at least 25 fold

  20. Dynamics of a 2D Piecewise Linear Braess Paradox Model: Effect of the Third Partition

    NASA Astrophysics Data System (ADS)

    Avrutin, Viktor; Dibak, Christoph; Dal Forno, Arianna; Merlone, Ugo

    In this work, we investigate the dynamics of a piecewise linear 2D discontinuous map modeling a simple network showing the Braess paradox. This paradox represents an example in which adding a new route to a specific congested transportation network makes all the travelers worse off in terms of their individual travel time. In the particular case in which the modeled network corresponds to a binary choice situation, the map is defined on two partitions and its dynamics has already been described. In the general case corresponding to a ternary choice, a third partition appears leading to significantly more complex bifurcation structures formed by border collision bifurcations of stable cycles with points located in all three partitions. Considering a map taking a constant value on one of the partitions, we provide a first systematic description of possible dynamics for this case.

  1. An investigation of DTNS2D for use as an incompressible turbulence modelling test-bed

    NASA Technical Reports Server (NTRS)

    Steffen, Christopher J., Jr.

    1992-01-01

    This paper documents an investigation of a two dimensional, incompressible Navier-Stokes solver for use as a test-bed for turbulence modelling. DTNS2D is the code under consideration for use at the Center for Modelling of Turbulence and Transition (CMOTT). This code was created by Gorski at the David Taylor Research Center and incorporates the pseudo compressibility method. Two laminar benchmark flows are used to measure the performance and implementation of the method. The classical solution of the Blasius boundary layer is used for validating the flat plate flow, while experimental data is incorporated in the validation of backward facing step flow. Velocity profiles, convergence histories, and reattachment lengths are used to quantify these calculations. The organization and adaptability of the code are also examined in light of the role as a numerical test-bed.

  2. Comparative modeling of vertical and planar organic phototransistors with 2D drift-diffusion simulations

    NASA Astrophysics Data System (ADS)

    Bezzeccheri, E.; Colasanti, S.; Falco, A.; Liguori, R.; Rubino, A.; Lugli, P.

    2016-05-01

    Vertical Organic Transistors and Phototransistors have been proven to be promising technologies due to the advantages of reduced channel length and larger sensitive area with respect to planar devices. Nevertheless, a real improvement of their performance is subordinate to the quantitative description of their operation mechanisms. In this work, we present a comparative study on the modeling of vertical and planar Organic Phototransistor (OPT) structures. Computer-based simulations of the devices have been carried out with Synopsys Sentaurus TCAD in a 2D Drift-Diffusion framework. The photoactive semiconductor material has been modeled using the virtual semiconductor approach as the archetypal P3HT:PC61BM bulk heterojunction. It has been found that both simulated devices have comparable electrical and optical characteristics, accordingly to recent experimental reports on the subject.

  3. Brief Communication: 2-D numerical modeling of the transformation mechanism of a braided channel

    NASA Astrophysics Data System (ADS)

    Xiao, Y.; Yang, S. F.; Shao, X.; Chen, W. X.; Xu, X. M.

    2014-05-01

    This paper investigates the controls on the transformation mechanism among different channel patterns. A 2-D depth-averaged numerical model is applied to produce the evolution of channel patterns with complex interactions among water flow, sediment transport, and bank erosion. Changes of the variables as discharge, sediment supply, and vegetation are considered in the numerical experiments, leading to the transformation from a braided pattern into a meandering one. What controls the transformation is discussed with the numerical results: vegetation helps stabilize the cut bank and bar surface, but is not a key in the transition; a decrease in discharge and sediment supply could lead a braided pattern to a meandering one. The conclusion is in agreement with various previous field work, confirming the two dimensional model's potential in predicting the transition between different rivers and improving understanding of patterning processes.

  4. Optimizing QSAR models for predicting ligand binding to the drug-metabolizing cytochrome P450 isoenzyme CYP2D6.

    PubMed

    Saraceno, Marilena; Massarelli, Ilaria; Imbriani, Marcello; James, Thomas L; Bianucci, Anna M

    2011-08-01

    The cytochrome P450 isozyme CYP2D6 binds a large variety of drugs, oxidizing many of them, and plays a crucial role in establishing in vivo drug levels, especially in multidrug regimens. The current study aimed to develop reliable predictive models for estimating the CYP2D6 inhibition properties of drug candidates. Quantitative structure-activity relationship (QSAR) studies utilizing 51 known CYP2D6 inhibitors were carried out. Performance achieved using models based on two-dimensional (2D) molecular descriptors was compared with performance using models entailing additional molecular descriptors that depend upon the three-dimensional (3D) structure of ligands. To properly compute the descriptors, all the 3D inhibitor structures were optimized such that induced-fit binding of the ligand to the active site was accommodated. CODESSA software was used to obtain equations for correlating the structural features of the ligands to their pharmacological effects on CYP2D6 (inhibition). The predictive power of all the QSAR models obtained was estimated by applying rigorous statistical criteria. To assess the robustness and predictability of the models, predictions were carried out on an additional set of known molecules (prediction set). The results showed that only models incorporating 3D descriptors in addition to 2D molecular descriptors possessed the requisite high predictive power for CYP2D6 inhibition.

  5. Preliminary results for model identification in characterizing 2-D topographic road profiles

    NASA Astrophysics Data System (ADS)

    Kern, Joshua V.; Ferris, John B.

    2006-05-01

    Load data representing severe customer usage is needed throughout a chassis development program; the majority of these chassis loads originate with the excitation from the road. These chassis loads are increasingly derived from vehicle simulations. Simulating a vehicle traversing long roads is simply impractical, however, and a greatly reduced set of characteristic roads must be found. In order to characterize a road, certain modeling assumptions must be made. Several models have been proposed making various assumptions about the properties that road profiles possess. The literature in this field is reviewed before focusing on two modeling assumptions of particular interest: the stationarity of the signal (homogeneity of the road) and the corresponding interval over which previous data points are correlated to the current data point. In this work, 2-D topographic road profiles are considered to be signals that are realizations of a stochastic process. The objective of this work is to investigate the stationarity assumption and the interval of influence for several carefully controlled sections of highway pavement in the United States. Two statistical techniques are used in analyzing these data: the autocorrelation and the partial autocorrelation. It is shown that the road profile signals in their original form are not stationary and have an extremely long interval of influence on the order of 25m. By differencing the data, however, it is often possible to generate stationary residuals and a very short interval of influence on the order of 250mm. By examining the autocorrelation and the partial autocorrelation, various versions of ARIMA models appear to be appropriate for further modeling. Implications to modeling the signals as Markov Chains are also discussed. In this way, roads can be characterized by the model architecture and the particular parameterization of the model. Any synthetic road realized from a particular model represents all profiles in this set

  6. The development and testing of a 2D laboratory seismic modelling system for heterogeneous structure investigations

    NASA Astrophysics Data System (ADS)

    Mo, Yike; Greenhalgh, Stewart A.; Robertsson, Johan O. A.; Karaman, Hakki

    2015-05-01

    Lateral velocity variations and low velocity near-surface layers can produce strong scattered and guided waves which interfere with reflections and lead to severe imaging problems in seismic exploration. In order to investigate these specific problems by laboratory seismic modelling, a simple 2D ultrasonic model facility has been recently assembled within the Wave Propagation Lab at ETH Zurich. The simulated geological structures are constructed from 2 mm thick metal and plastic sheets, cut and bonded together. The experiments entail the use of a piezoelectric source driven by a pulse amplifier at ultrasonic frequencies to generate Lamb waves in the plate, which are detected by piezoelectric receivers and recorded digitally on a National Instruments recording system, under LabVIEW software control. The 2D models employed were constructed in-house in full recognition of the similitude relations. The first heterogeneous model features a flat uniform low velocity near-surface layer and deeper dipping and flat interfaces separating different materials. The second model is comparable but also incorporates two rectangular shaped inserts, one of low velocity, the other of high velocity. The third model is identical to the second other than it has an irregular low velocity surface layer of variable thickness. Reflection as well as transmission experiments (crosshole & vertical seismic profiling) were performed on each model. The two dominant Lamb waves recorded are the fundamental symmetric mode (non-dispersive) and the fundamental antisymmetric (flexural) dispersive mode, the latter normally being absent when the source transducer is located on a model edge but dominant when it is on the flat planar surface of the plate. Experimental group and phase velocity dispersion curves were determined and plotted for both modes in a uniform aluminium plate. For the reflection seismic data, various processing techniques were applied, as far as pre-stack Kirchhoff migration. The

  7. Turbulence modeling for subsonic separated flows over 2-D airfoils and 3-D wings

    NASA Astrophysics Data System (ADS)

    Rosen, Aaron M.

    Accurate predictions of turbulent boundary layers and flow separation through computational fluid dynamics (CFD) are becoming more and more essential for the prediction of loads in the design of aerodynamic flight components. Standard eddy viscosity models used in many commercial codes today do not capture the nonequilibrium effects seen in a separated flow and thus do not generally make accurate separation predictions. Part of the reason for this is that under nonequilibrium conditions such as a strong adverse pressure gradient, the history effects of the flow play an important role in the growth and decay of turbulence. More recent turbulence models such as Olsen and Coakley's Lag model and Lillard's lagRST model seek to simulate these effects by lagging the turbulent variables when nonequilibrium effects become important. The purpose of the current research is to assess how these nonequilibrium turbulence models capture the separated regions on various 2-D airfoils and 3-D wings. Nonequilibrium models including the Lag model and the lagRST model are evaluated in comparison with three baseline models (Spalart-Allmaras, Wilcox's k-omega, and Menter's SST) using a modified version of the OVERFLOW code. Tuning the model coefficients of the Lag and lagRST models is also explored. Results show that the various lagRST formulations display an improvement in velocity profile predictions over the standard RANS models, but have trouble capturing the edge of the boundary layer. Experimental separation location measurements were not available, but several trends are noted which may be useful to tuning the model coefficients in the future.

  8. 2D-photochemical modeling of Saturn’s stratosphere: hydrocarbon and water distributions

    NASA Astrophysics Data System (ADS)

    Hue, Vincent; Cavalié, Thibault; Hersant, Franck; Dobrijevic, Michel; Greathouse, Thomas; Lellouch, Emmanuel; Hartogh, Paul; Cassidy, Timothy; Spiga, Aymeric; Guerlet, Sandrine; Sylvestre, Melody

    2014-11-01

    Saturn’s axial tilt of 27° produces seasons in a similar way as on Earth. The seasonal forcing over Saturn’s 30 years period influences the production/loss of the major atmospheric absorbers and coolants through photochemistry, and influences therefore Saturn’s stratospheric temperatures. We have developed a 2D time-dependent photochemical model of Saturn’s atmosphere [Hue et al., in prep.], coupled to a radiative-climate model [Greathouse et al., 2008] to study seasonal effects on its atmospheric composition. Cassini spacecraft has revealed that the distribution of hydrocarbons in Saturn’s stratosphere [Guerlet et al., 2009] differs from pure photochemical predictions, i.e. without meridional transport [Moses et al., 2005]. Differences between the observed distribution of hydrocarbons and 2D-photochemical predictions are likely to be an indicator of dynamical forcing.Disentangling the origin of water in the stratosphere of this planet has been a long-term issue. Due to Saturn’s cold tropopause trap, which acts as a transport barrier, the water vapor observed by the Infrared Space Observatory (ISO) [Feuchtgruber et al., 1997] has an external origin. Three external sources have been identified: (i) permanent flux from interplanetary dust particles, (ii) local sources form planetary environments (rings, satellites), (iii) large cometary impacts, similar to Shoemaker-Levy 9 on Jupiter. Previous observations of Saturn with Herschel’s Hsso program [Hartogh et al., 2009] led to the detection of a water torus around Saturn [Hartogh et al., 2011], fed by Enceladus’ geysers. A substantial fraction of this torus is predicted to be a local source of water for Saturn’s and its satellites, as it will spread in this system [Cassidy et al., 2010]. Using the new 2D-photochemical model, we test here the validity of Enceladus’ torus as the source of Saturn’s stratospheric water.References : Hue et al., in prep. Greathouse et al., 2008. AGU Fall Meeting

  9. Tamm-Hubbard surface states in the continuum.

    PubMed

    Longhi, S; Della Valle, G

    2013-06-12

    In the framework of the Bose-Hubbard model, we show that two-particle surface bound states embedded in the continuum (BIC) can be sustained at the edge of a semi-infinite one-dimensional tight-binding lattice for any infinitesimally-small impurity potential V at the lattice boundary. Such thresholdless surface states, which can be referred to as Tamm-Hubbard BIC states, exist provided that the impurity potential V is attractive (repulsive) and the particle-particle Hubbard interaction U is repulsive (attractive), i.e. for UV < 0.

  10. The combined effect of attraction and orientation zones in 2D flocking models

    NASA Astrophysics Data System (ADS)

    Iliass, Tarras; Cambui, Dorilson

    2016-01-01

    In nature, many animal groups, such as fish schools or bird flocks, clearly display structural order and appear to move as a single coherent entity. In order to understand the complex motion of these systems, we study the Vicsek model of self-propelled particles (SPP) which is an important tool to investigate the behavior of collective motion of live organisms. This model reproduces the biological behavior patterns in the two-dimensional (2D) space. Within the framework of this model, the particles move with the same absolute velocity and interact locally in the zone of orientation by trying to align their direction with that of the neighbors. In this paper, we model the collective movement of SPP using an agent-based model which follows biologically motivated behavioral rules, by adding a second region called the attraction zone, where each particles move towards each other avoiding being isolated. Our main goal is to present a detailed numerical study on the effect of the zone of attraction on the kinetic phase transition of our system. In our study, the consideration of this zone seems to play an important role in the cohesion. Consequently, in the directional orientation, the zone that we added forms the compact particle group. In our simulation, we show clearly that the model proposed here can produce two collective behavior patterns: torus and dynamic parallel group. Implications of these findings are discussed.

  11. Coronary arteries motion modeling on 2D x-ray images

    NASA Astrophysics Data System (ADS)

    Gao, Yang; Sundar, Hari

    2012-02-01

    During interventional procedures, 3D imaging modalities like CT and MRI are not commonly used due to interference with the surgery and radiation exposure concerns. Therefore, real-time information is usually limited and building models of cardiac motion are difficult. In such case, vessel motion modeling based on 2-D angiography images become indispensable. Due to issues with existing vessel segmentation algorithms and the lack of contrast in occluded vessels, manual segmentation of certain branches is usually necessary. In addition, such occluded branches are the most important vessels during coronary interventions and obtaining motion models for these can greatly help in reducing the procedure time and radiation exposure. Segmenting different cardiac phases independently does not guarantee temporal consistency and is not efficient for occluded branches required manual segmentation. In this paper, we propose a coronary motion modeling system which extracts the coronary tree for every cardiac phase, maintaining the segmentation by tracking the coronary tree during the cardiac cycle. It is able to map every frame to the specific cardiac phase, thereby inferring the shape information of the coronary arteries using the model corresponding to its phase. Our experiments show that our motion modeling system can achieve promising results with real-time performance.

  12. Calibration Of 2D Hydraulic Inundation Models In The Floodplain Region Of The Lower Tagus River

    NASA Astrophysics Data System (ADS)

    Pestanana, R.; Matias, M.; Canelas, R.; Araujo, A.; Roque, D.; Van Zeller, E.; Trigo-Teixeira, A.; Ferreira, R.; Oliveira, R.; Heleno, S.

    2013-12-01

    In terms of inundated area, the largest floods in Portugal occur in the Lower Tagus River. On average, the river overflows every 2.5 years, at times blocking roads and causing important agricultural damages. This paper focus on the calibration of 2D-horizontal flood simulation models for the floods of 2001 and 2006 on a 70-km stretch of the Lower Tagus River. Flood extent maps, derived from ERS SAR and ENVISAT ASAR imagery were compared with the flood extent maps obtained for each simulation, to calibrate roughness coefficients. The combination of the calibration results from the 2001 and 2006 floods provided a preliminary Manning coefficient map of the study area.

  13. 2D double interaction method for modeling small particles contaminating microstructures located on substrates

    NASA Astrophysics Data System (ADS)

    Albella, P.; Moreno, F.; Saiz, J. M.; González, F.

    2007-07-01

    An interaction model developed in previous research [de la Peña JL, González F, Saiz JM, Moreno F, Valle PJ. Sizing particles on substrates. A general method for oblique incidence. J Appl Phys 1999; 85:432] is extended to the study of two-scaled systems consisting of particles located on larger structures. Far-field scattering patterns produced by these systems can be obtained by coherent addition of different electromagnetic contributions, each one obtained from an independent isolated particle calculation. Results are performed on a 2D scheme, where they can be easily compared with those given by an exact method. This analysis shows some features of the scattering patterns that can be obtained with high reliability. Research on this kind of systems can be applied to 3D situations like particle substrate contamination and particle particle contamination.

  14. Robust autonomous model learning from 2D and 3D data sets.

    PubMed

    Langs, Georg; Donner, René; Peloschek, Philipp; Bischof, Horst

    2007-01-01

    In this paper we propose a weakly supervised learning algorithm for appearance models based on the minimum description length (MDL) principle. From a set of training images or volumes depicting examples of an anatomical structure, correspondences for a set of landmarks are established by group-wise registration. The approach does not require any annotation. In contrast to existing methods no assumptions about the topology of the data are made, and the topology can change throughout the data set. Instead of a continuous representation of the volumes or images, only sparse finite sets of interest points are used to represent the examples during optimization. This enables the algorithm to efficiently use distinctive points, and to handle texture variations robustly. In contrast to standard elasticity based deformation constraints the MDL criterion accounts for systematic deformations typical for training sets stemming from medical image data. Experimental results are reported for five different 2D and 3D data sets.

  15. An application of the distributed hydrologic model CASC2D to a tropical montane watershed

    NASA Astrophysics Data System (ADS)

    Marsik, Matt; Waylen, Peter

    2006-11-01

    SummaryIncreased stormflow in the Quebrada Estero watershed (2.5 km 2), in the northwestern Central Valley tectonic depression of Costa Rica, reportedly has caused flooding of the city of San Ramón in recent decades. Although scientifically untested, urban expansion was deemed the cause and remedial measures were recommended by the Programa de Investigación en Desarrollo Humano Sostenible (ProDUS). CASC2D, a physically-based, spatially explicit hydrologic model, was constructed and calibrated to a June 10th 2002 storm that delivered 110.5 mm of precipitation in 4.5 h visibly exceeded the bankfull stage (0.9 m) of the Quebrada flooding portions of San Ramón. The calibrated hydrograph showed a peak discharge 16.68% (2.5 m 3 s -1) higher, an above flood stage duration 20% shorter, and time to peak discharge 11 min later than the same observed discharge hydrograph characteristics. Simulations of changing land cover conditions from 1979 to 1999 showed an increase also in the peak discharge, above flood stage duration, and time to peak discharge. Analysis using a modified location quotient identified increased urbanization in lower portions of the watershed over the time period studied. These results suggest that increased urbanization in the Quebrada Estero watershed have increased flooding peaks, and durations above threshold, confirming the ProDUS report. These results and the CASC2D model offer an easy-to-use, pragmatic planning tool for policymakers in San Ramón to assess future development scenarios and their potential flooding impacts to San Ramón.

  16. Field Evaluation of a Novel 2D Preferential Flow Snowpack Hydrology Model

    NASA Astrophysics Data System (ADS)

    Leroux, N.; Pomeroy, J. W.; Kinar, N. J.

    2015-12-01

    Accurate estimation of snowmelt flux is of primary importance for runoff hydrograph prediction, which is used for water management and flood forecasting. Lateral flows and preferential flow pathways in porous media flow have proven critical for improving soil and groundwater flow models, but though many physically-based layered snowmelt models have been developed, only 1D matrix flow is accounted for in these models. Therefore, there is a need for snowmelt models that include these processes so as to examine the potential to improve snowmelt hydrological modelling. A 2D model is proposed that enables an improved understanding of energy and water flows within deep heterogeneous snowpacks, including those on slopes. A dual pathway theory is presented that simulates the formation of preferential flow paths, vertical and lateral water flows through the snow matrix and flow fingers, internal energy fluxes, melt, wet snow metamorphism, and internal refreezing. The dual pathway model utilizes an explicit finite volume method to solve for the energy and water flux equations over a non-orthogonal grid. It was run and evaluated using in-situ data collected from snowpit - accessed gravimetric, thermometric, photographic, and dielectric observations and novel non-invasive acoustic observations of layering, temperature, flowpath geometry, density and wetness at the Fortress Mountain Snow Laboratory, Alberta, Canada. The melt of a natural snowpack was artificially generated after detailed observation of snowpack initial conditions such as snow layer properties, temperature, and liquid water content. Snowpack ablation and liquid water content distribution over time were then measured and used for model parameterization and validation. Energy available at the snow surface and soil slope angle were set as mondel inputs. Model verification was based on snowpack property evolution. The heterogeneous flow model can be an important tool to help understand snowmelt flow processes, how

  17. Thermochemical Nonequilibrium 2D Modeling of Nitrogen Inductively Coupled Plasma Flow

    NASA Astrophysics Data System (ADS)

    Yu, Minghao; Yusuke, Takahashi; Hisashi, Kihara; Ken-ichi, Abe; Kazuhiko, Yamada; Takashi, Abe; Satoshi, Miyatani

    2015-09-01

    Two-dimensional (2D) numerical simulations of thermochemical nonequilibrium inductively coupled plasma (ICP) flows inside a 10-kW inductively coupled plasma wind tunnel (ICPWT) were carried out with nitrogen as the working gas. Compressible axisymmetric Navier-Stokes (N-S) equations coupled with magnetic vector potential equations were solved. A four-temperature model including an improved electron-vibration relaxation time was used to model the internal energy exchange between electron and heavy particles. The third-order accuracy electron transport properties (3rd AETP) were applied to the simulations. A hybrid chemical kinetic model was adopted to model the chemical nonequilibrium process. The flow characteristics such as thermal nonequilibrium, inductive discharge, effects of Lorentz force were made clear through the present study. It was clarified that the thermal nonequilibrium model played an important role in properly predicting the temperature field. The prediction accuracy can be improved by applying the 3rd AETP to the simulation for this ICPWT. supported by Grant-in-Aid for Scientific Research (No. 23560954), sponsored by the Japan Society for the Promotion of Science

  18. Spin Circuit Model for 2D Channels with Spin-Orbit Coupling.

    PubMed

    Hong, Seokmin; Sayed, Shehrin; Datta, Supriyo

    2016-03-02

    In this paper we present a general theory for an arbitrary 2D channel with "spin momentum locking" due to spin-orbit coupling. It is based on a semiclassical model that classifies all the channel electronic states into four groups based on the sign of the z-component of the spin (up (U), down (D)) and the sign of the x-component of the velocity (+, -). This could be viewed as an extension of the standard spin diffusion model which uses two separate electrochemical potentials for U and D states. Our model uses four: U+, D+, U-, and D-. We use this formulation to develop an equivalent spin circuit that is also benchmarked against a full non-equilibrium Green's function (NEGF) model. The circuit representation can be used to interpret experiments and estimate important quantities of interest like the charge to spin conversion ratio or the maximum spin current that can be extracted. The model should be applicable to topological insulator surface states with parallel channels as well as to other layered structures with interfacial spin-orbit coupling.

  19. Model-based segmentation and quantification of subcellular structures in 2D and 3D fluorescent microscopy images

    NASA Astrophysics Data System (ADS)

    Wörz, Stefan; Heinzer, Stephan; Weiss, Matthias; Rohr, Karl

    2008-03-01

    We introduce a model-based approach for segmenting and quantifying GFP-tagged subcellular structures of the Golgi apparatus in 2D and 3D microscopy images. The approach is based on 2D and 3D intensity models, which are directly fitted to an image within 2D circular or 3D spherical regions-of-interest (ROIs). We also propose automatic approaches for the detection of candidates, for the initialization of the model parameters, and for adapting the size of the ROI used for model fitting. Based on the fitting results, we determine statistical information about the spatial distribution and the total amount of intensity (fluorescence) of the subcellular structures. We demonstrate the applicability of our new approach based on 2D and 3D microscopy images.

  20. Bogoliubov approach to superfluid-Bose glass phase transition of a disordered Bose-Hubbard model in weakly interacting regime

    NASA Astrophysics Data System (ADS)

    Wang, Botao; Jiang, Ying

    2016-11-01

    We investigate the disorder effect on coherent fraction and the quantum phase transition of ultracold dilute Bose gases trapped in disordered optical lattices. Within the framework of Bogoliubov theory, an analytical expression for the particle density is derived and the dependence of coherent fraction on disorder strength as well as on lattice depth is discussed. In weak disorder regime, we find a decreased sensitivity of coherent fraction to disorder with the increase of on-site interaction strength. For strong disorder, the quantum phase boundary between superfluid phase and Bose glass phase in the disordered Bose-Hubbard system in weak interaction regime is discussed qualitatively. The obtained phase diagram is in agreement with the empirical square-root law. The dependence of the corresponding critical value of the disorder strength on optical lattice depth is presented as well, and may serve as a reference object for possible experimental investigation.

  1. A new model for two-dimensional numerical simulation of pseudo-2D gas-solids fluidized beds

    SciTech Connect

    Li, Tingwen; Zhang, Yongmin

    2013-10-11

    Pseudo-two dimensional (pseudo-2D) fluidized beds, for which the thickness of the system is much smaller than the other two dimensions, is widely used to perform fundamental studies on bubble behavior, solids mixing, or clustering phenomenon in different gas-solids fluidization systems. The abundant data from such experimental systems are very useful for numerical model development and validation. However, it has been reported that two-dimensional (2D) computational fluid dynamic (CFD) simulations of pseudo-2D gas-solids fluidized beds usually predict poor quantitative agreement with the experimental data, especially for the solids velocity field. In this paper, a new model is proposed to improve the 2D numerical simulations of pseudo-2D gas-solids fluidized beds by properly accounting for the frictional effect of the front and back walls. Two previously reported pseudo-2D experimental systems were simulated with this model. Compared to the traditional 2D simulations, significant improvements in the numerical predictions have been observed and the predicted results are in better agreement with the available experimental data.

  2. Schwinger-Keldysh approach to out-of-equilibrium dynamics of the Bose-Hubbard model with time-varying hopping

    SciTech Connect

    Kennett, Malcolm P.; Dalidovich, Denis

    2011-09-15

    We study the real-time dynamics of the Bose-Hubbard model in the presence of time-dependent hopping, allowing for a finite-temperature initial state. We use the Schwinger-Keldysh technique to find the real-time strong coupling action for the problem at both zero and finite temperature. This action allows for the description of both the superfluid and Mott-insulating phases. We use this action to obtain dynamical equations for the superfluid order parameter as hopping is tuned in real time so that the system crosses the superfluid phase boundary. We find that under a quench in the hopping, the system generically enters a metastable state in which the superfluid order parameter has an oscillatory time dependence with a finite magnitude, but disappears when averaged over a period. We relate our results to recent cold-atom experiments.

  3. Triplet p + ip pairing correlations in the doped Kane-Mele-Hubbard model: A quantum Monte Carlo study

    SciTech Connect

    Ma, Tianxing; Lin, Hai-Qing; Gubernatis, James E.

    2015-09-01

    By using the constrained-phase quantum Monte Carlo method, we performed a systematic study of the pairing correlations in the ground state of the doped Kane-Mele-Hubbard model on a honeycomb lattice. We find that pairing correlations with d + id symmetry dominate close to half filling, but pairing correlations with p+ip symmetry dominate as hole doping moves the system below three-quarters filling. We correlate these behaviors of the pairing correlations with the topology of the Fermi surfaces of the non-interacting problem. We also find that the effective pairing correlation is enhanced greatly as the interaction increases, and these superconducting correlations are robust against varying the spin-orbit coupling strength. Finally, our numerical results suggest a possible way to realize spin triplet superconductivity in doped honeycomb-like materials or ultracold atoms in optical traps.

  4. Dynamics of the quantum phase transition in the one-dimensional Bose-Hubbard model: Excitations and correlations induced by a quench

    NASA Astrophysics Data System (ADS)

    Gardas, Bartłomiej; Dziarmaga, Jacek; Zurek, Wojciech H.

    2017-03-01

    The ground state of the one-dimensional Bose-Hubbard model at unit filling undergoes the Mott-superfluid quantum phase transition. It belongs to the Kosterlitz-Thouless universality class with an exponential divergence of the correlation length in place of the usual power law. We present numerical simulations of a linear quench both from the Mott insulator to superfluid and back. The results satisfy the scaling hypothesis that follows from the Kibble-Zurek mechanism (KZM). In the superfluid-to-Mott quenches there is no significant excitation in the superfluid phase despite its gaplessness. Since all critical superfluid ground states are qualitatively similar, the excitation begins to build up only after crossing the critical point when the ground state begins to change fundamentally. The last process falls into the KZM framework.

  5. Transectional heat transfer in thermoregulating bigeye tuna (Thunnus obesus) - a 2D heat flux model.

    PubMed

    Boye, Jess; Musyl, Michael; Brill, Richard; Malte, Hans

    2009-11-01

    We developed a 2D heat flux model to elucidate routes and rates of heat transfer within bigeye tuna Thunnus obesus Lowe 1839 in both steady-state and time-dependent settings. In modeling the former situation, we adjusted the efficiencies of heat conservation in the red and the white muscle so as to make the output of the model agree as closely as possible with observed cross-sectional isotherms. In modeling the latter situation, we applied the heat exchanger efficiencies from the steady-state model to predict the distribution of temperature and heat fluxes in bigeye tuna during their extensive daily vertical excursions. The simulations yielded a close match to the data recorded in free-swimming fish and strongly point to the importance of the heat-producing and heat-conserving properties of the white muscle. The best correspondence between model output and observed data was obtained when the countercurrent heat exchangers in the blood flow pathways to the red and white muscle retained 99% and 96% (respectively) of the heat produced in these tissues. Our model confirms that the ability of bigeye tuna to maintain elevated muscle temperatures during their extensive daily vertical movements depends on their ability to rapidly modulate heating and cooling rates. This study shows that the differential cooling and heating rates could be fully accounted for by a mechanism where blood flow to the swimming muscles is either exclusively through the heat exchangers or completely shunted around them, depending on the ambient temperature relative to the body temperature. Our results therefore strongly suggest that such a mechanism is involved in the extensive physiological thermoregulatory abilities of endothermic bigeye tuna.

  6. Initial results with the LLNL 2-D chemical-radiative-transport model of the troposphere and stratosphere

    SciTech Connect

    Wuebbles, D.J.; Connell, P.S.; Grant, K.E.; Tarp, R.; Taylor, K.E.

    1987-09-01

    Significant progress has been made at LLNL in the development of a zonally averaged (two-dimensional) chemical-radiative-transport model of the troposphere and stratosphere. Although further model development and refinement is being planned the LLNL 2-D model is currently ready to be applied to appropriately designed research studies of stratospheric chemical processes and interactions. Several such studies are now underway. This paper provides a description of the existing 2-D model and discusses some of the pertinent results for evaluating the capabilities of the model. Special attempts at improving the timing of the model are also discussed. 6 figs.

  7. Simulation of abrasive flow machining process for 2D and 3D mixture models

    NASA Astrophysics Data System (ADS)

    Dash, Rupalika; Maity, Kalipada

    2015-12-01

    Improvement of surface finish and material removal has been quite a challenge in a finishing operation such as abrasive flow machining (AFM). Factors that affect the surface finish and material removal are media viscosity, extrusion pressure, piston velocity, and particle size in abrasive flow machining process. Performing experiments for all the parameters and accurately obtaining an optimized parameter in a short time are difficult to accomplish because the operation requires a precise finish. Computational fluid dynamics (CFD) simulation was employed to accurately determine optimum parameters. In the current work, a 2D model was designed, and the flow analysis, force calculation, and material removal prediction were performed and compared with the available experimental data. Another 3D model for a swaging die finishing using AFM was simulated at different viscosities of the media to study the effects on the controlling parameters. A CFD simulation was performed by using commercially available ANSYS FLUENT. Two phases were considered for the flow analysis, and multiphase mixture model was taken into account. The fluid was considered to be a

  8. Model-guided respiratory organ motion prediction of the liver from 2D ultrasound.

    PubMed

    Preiswerk, Frank; De Luca, Valeria; Arnold, Patrik; Celicanin, Zarko; Petrusca, Lorena; Tanner, Christine; Bieri, Oliver; Salomir, Rares; Cattin, Philippe C

    2014-07-01

    With the availability of new and more accurate tumour treatment modalities such as high-intensity focused ultrasound or proton therapy, accurate target location prediction has become a key issue. Various approaches for diverse application scenarios have been proposed over the last decade. Whereas external surrogate markers such as a breathing belt work to some extent, knowledge about the internal motion of the organs inherently provides more accurate results. In this paper, we combine a population-based statistical motion model and information from 2d ultrasound sequences in order to predict the respiratory motion of the right liver lobe. For this, the motion model is fitted to a 3d exhalation breath-hold scan of the liver acquired before prediction. Anatomical landmarks tracked in the ultrasound images together with the model are then used to reconstruct the complete organ position over time. The prediction is both spatial and temporal, can be computed in real-time and is evaluated on ground truth over long time scales (5.5 min). The method is quantitatively validated on eight volunteers where the ultrasound images are synchronously acquired with 4D-MRI, which provides ground-truth motion. With an average spatial prediction accuracy of 2.4 mm, we can predict tumour locations within clinically acceptable margins.

  9. Field-induced magnetization jumps and quantum criticality in the 2D J-Q model

    NASA Astrophysics Data System (ADS)

    Iaizzi, Adam; Sandvik, Anders

    The J-Q model is a `designer hamiltonian' formed by adding a four spin `Q' term to the standard antiferromagnetic S = 1 / 2 Heisenberg model. The Q term drives a quantum phase transition to a valence-bond solid (VBS) state: a non-magnetic state with a pattern of local singlets which breaks lattice symmetries. The elementary excitations of the VBS are triplons, i.e. gapped S=1 quasiparticles. There is considerable interest in the quantum phase transition between the Néel and VBS states as an example of deconfined quantum criticality. Near the phase boundary, triplons deconfine into pairs of bosonic spin-1/2 excitations known as spinons. Using exact diagonalization and the stochastic series expansion quantum monte carlo method, we study the 2D J-Q model in the presence of an external magnetic field. We use the field to force a nonzero density of magnetic excitations at T=0 and look for signatures of Bose-Einstein condensation of spinons. At higher magnetic fields, there is a jump in the induced magnetization caused by the onset of an effective attractive interaction between magnons on a ferromagnetic background. We characterize the first order quantum phase transition and determine the minimum value of the coupling ratio q ≡ Q / J required to produce this jump. Funded by NSF DMR-1410126.

  10. 2d Affine XY-Spin Model/4d Gauge Theory Duality and Deconfinement

    SciTech Connect

    Anber, Mohamed M.; Poppitz, Erich; Unsal, Mithat; /SLAC /Stanford U., Phys. Dept. /San Francisco State U.

    2012-08-16

    We introduce a duality between two-dimensional XY-spin models with symmetry-breaking perturbations and certain four-dimensional SU(2) and SU(2) = Z{sub 2} gauge theories, compactified on a small spatial circle R{sup 1,2} x S{sup 1}, and considered at temperatures near the deconfinement transition. In a Euclidean set up, the theory is defined on R{sup 2} x T{sup 2}. Similarly, thermal gauge theories of higher rank are dual to new families of 'affine' XY-spin models with perturbations. For rank two, these are related to models used to describe the melting of a 2d crystal with a triangular lattice. The connection is made through a multi-component electric-magnetic Coulomb gas representation for both systems. Perturbations in the spin system map to topological defects in the gauge theory, such as monopole-instantons or magnetic bions, and the vortices in the spin system map to the electrically charged W-bosons in field theory (or vice versa, depending on the duality frame). The duality permits one to use the two-dimensional technology of spin systems to study the thermal deconfinement and discrete chiral transitions in four-dimensional SU(N{sub c}) gauge theories with n{sub f} {ge} 1 adjoint Weyl fermions.

  11. 2D dynamical magma propagation modeling: application to the 2001 Mount Etna eruption

    NASA Astrophysics Data System (ADS)

    Pinel, Virginie; Carrara, Alexandre; Maccaferri, Francesco; Rivalta, Eleonora; Corbi, Fabio

    2016-04-01

    Numerical and analog studies of dike propagation in a stress field induced by volcanic edifice construction have shown that surface loading tends both to attract the magma and to reduce its velocity. Available numerical models can either calculate the trajectory or the velocity of the ascending dikes, but not both of them simultaneously. We developed a hybrid model of dyke propagation in two dimensions solving both for the magma trajectory and velocity as a function of the source overpressure, the magma physical properties (density and viscosity) as well as the crustal density and stress field. We first calculate a dyke trajectory in 2D and secondly run a 1D dynamical model of dyke propagation along this trajectory taken into account the influence of the stress field seen by the magma along this path. This model is used to characterize the influence of surface load on magma migration towards the surface and compared to previous results obtained by analog modeling.We find that the amplitude of dyke deflection and magma velocity variation depend on the ratio between the dyke driving pressure (source overpressure as well buoyancy) and the stress field perturbation. Our model is then applied to the July 2001 eruption of Etna, where the final dyke deflection had been previously interpreted as due to the topographic load by Bonaccorso et al. [2010]. We show that the velocity decrease observed during the last stage of the propagation can also be attributed to the local stress field. We use the dyke propagation duration to estimate the magma overpressure at the dyke bottom to be less than 4 MPa.

  12. Generalized Mechanistic Model for the Chemical Vapor Deposition of 2D Transition Metal Dichalcogenide Monolayers.

    PubMed

    Govind Rajan, Ananth; Warner, Jamie H; Blankschtein, Daniel; Strano, Michael S

    2016-04-26

    Transition metal dichalcogenides (TMDs) like molybdenum disulfide (MoS2) and tungsten disulfide (WS2) are layered materials capable of growth to one monolayer thickness via chemical vapor deposition (CVD). Such CVD methods, while powerful, are notoriously difficult to extend across different reactor types and conditions, with subtle variations often confounding reproducibility, particularly for 2D TMD growth. In this work, we formulate the first generalized TMD synthetic theory by constructing a thermodynamic and kinetic growth mechanism linked to CVD reactor parameters that is predictive of specific geometric shape, size, and aspect ratio from triangular to hexagonal growth, depending on specific CVD reactor conditions. We validate our model using experimental data from Wang et al. (Chem. Mater. 2014, 26, 6371-6379) that demonstrate the systemic evolution of MoS2 morphology down the length of a flow CVD reactor where variations in gas phase concentrations can be accurately estimated using a transport model (CSulfur = 9-965 μmol/m(3); CMoO3 = 15-16 mmol/m(3)) under otherwise isothermal conditions (700 °C). A stochastic model which utilizes a site-dependent activation energy barrier based on the intrinsic TMD bond energies and a series of Evans-Polanyi relations leads to remarkable, quantitative agreement with both shape and size evolution along the reactor. The model is shown to extend to the growth of WS2 at 800 °C and MoS2 under varied process conditions. Finally, a simplified theory is developed to translate the model into a "kinetic phase diagram" of the growth process. The predictive capability of this model and its extension to other TMD systems promise to significantly increase the controlled synthesis of such materials.

  13. 2D application of a friction-limited model for debris flow propagation

    NASA Astrophysics Data System (ADS)

    Jaboyedoff, M.; Demierre, J.; Rudaz, B.

    2012-04-01

    Debris flows are each year responsible of severe infrastructure damages and human losses. Accurate simulation of this phenomenon allows for prevention of risks related to such events and can help for a sustainable territorial planning. A simple and intuitive 2-D debris flow model is developed using MatLab. It is based on the coupling of a mass point motion along the slope and the flattening of a volume linked to this mass point. Three main parameters have to be tuned in order to obtain a realistic prediction: the basal friction angle, the flattening coefficient and the debris flow maximum velocity. The model enables to simulate the location of the debris as a function of time and thus predict an important parameter of debris flow events, the runout distance. This tool allows for rapid calculations and has the advantage to use parameters that are easily assessable, such as the thickness of the debris flow deposit. The model is applied and compared to a debris flow event that occurred in Switzerland (Fully, VS) in October 2000. Following heavy rainfall and a hydroelectric pipe failure, a morainic deposit failed and propagated as a debris flow, reaching human-occupied areas (vineyards and roads). The event is well documented, with the initiation point, the flow velocity and runout distance known. A good agreement is found between the model prediction and the data from the debris flow event described above. This shows that the developed simple model can be an efficient tool to predict important debris flow characteristics, such as the runout distance. A further development would be to implement a 3-D model based on this approach

  14. Nonequilibrium diagrammatic technique for Hubbard Green functions

    NASA Astrophysics Data System (ADS)

    Chen, Feng; Ochoa, Maicol A.; Galperin, Michael

    2017-03-01

    We introduce diagrammatic technique for Hubbard nonequilibrium Green functions. The formulation is an extension of equilibrium considerations for strongly correlated lattice models to description of current carrying molecular junctions. Within the technique intra-system interactions are taken into account exactly, while molecular coupling to contacts is used as a small parameter in perturbative expansion. We demonstrate the viability of the approach with numerical simulations for a generic junction model of quantum dot coupled to two electron reservoirs.

  15. On the assimilation of SWOT type data into 2D shallow-water models

    NASA Astrophysics Data System (ADS)

    Frédéric, Couderc; Denis, Dartus; Pierre-André, Garambois; Ronan, Madec; Jérôme, Monnier; Jean-Paul, Villa

    2013-04-01

    In river hydraulics, assimilation of water level measurements at gauging stations is well controlled, while assimilation of images is still delicate. In the present talk, we address the richness of satellite mapped information to constrain a 2D shallow-water model, but also related difficulties. 2D shallow models may be necessary for small scale modelling in particular for low-water and flood plain flows. Since in both cases, the dynamics of the wet-dry front is essential, one has to elaborate robust and accurate solvers. In this contribution we introduce robust second order, stable finite volume scheme [CoMaMoViDaLa]. Comparisons of real like tests cases with more classical solvers highlight the importance of an accurate flood plain modelling. A preliminary inverse study is presented in a flood plain flow case, [LaMo] [HoLaMoPu]. As a first step, a 0th order data processing model improves observation operator and produces more reliable water level derived from rough measurements [PuRa]. Then, both model and flow behaviours can be better understood thanks to variational sensitivities based on a gradient computation and adjoint equations. It can reveal several difficulties that a model designer has to tackle. Next, a 4D-Var data assimilation algorithm used with spatialized data leads to improved model calibration and potentially leads to identify river discharges. All the algorithms are implemented into DassFlow software (Fortran, MPI, adjoint) [Da]. All these results and experiments (accurate wet-dry front dynamics, sensitivities analysis, identification of discharges and calibration of model) are currently performed in view to use data from the future SWOT mission. [CoMaMoViDaLa] F. Couderc, R. Madec, J. Monnier, J.-P. Vila, D. Dartus, K. Larnier. "Sensitivity analysis and variational data assimilation for geophysical shallow water flows". Submitted. [Da] DassFlow - Data Assimilation for Free Surface Flows. Computational software http

  16. MAST-2D diffusive model for flood prediction on domains with triangular Delaunay unstructured meshes

    NASA Astrophysics Data System (ADS)

    Aricò, C.; Sinagra, M.; Begnudelli, L.; Tucciarelli, T.

    2011-11-01

    A new methodology for the solution of the 2D diffusive shallow water equations over Delaunay unstructured triangular meshes is presented. Before developing the new algorithm, the following question is addressed: it is worth developing and using a simplified shallow water model, when well established algorithms for the solution of the complete one do exist? The governing Partial Differential Equations are discretized using a procedure similar to the linear conforming Finite Element Galerkin scheme, with a different flux formulation and a special flux treatment that requires Delaunay triangulation but entire solution monotonicity. A simple mesh adjustment is suggested, that attains the Delaunay condition for all the triangle sides without changing the original nodes location and also maintains the internal boundaries. The original governing system is solved applying a fractional time step procedure, that solves consecutively a convective prediction system and a diffusive correction system. The non linear components of the problem are concentrated in the prediction step, while the correction step leads to the solution of a linear system of the order of the number of computational cells. A semi-analytical procedure is applied for the solution of the prediction step. The discretized formulation of the governing equations allows to handle also wetting and drying processes without any additional specific treatment. Local energy dissipations, mainly the effect of vertical walls and hydraulic jumps, can be easily included in the model. Several numerical experiments have been carried out in order to test (1) the stability of the proposed model with regard to the size of the Courant number and to the mesh irregularity, (2) its computational performance, (3) the convergence order by means of mesh refinement. The model results are also compared with the results obtained by a fully dynamic model. Finally, the application to a real field case with a Venturi channel is presented.

  17. 2D spectral element modeling of GPR wave propagation in inhomogeneous media

    NASA Astrophysics Data System (ADS)

    Zarei, Sajad; Oskooi, Behrooz; Amini, Navid; Dalkhani, Amin Rahimi

    2016-10-01

    We present a spectral element method, for simulation of ground-penetrating radar (GPR) in two dimensions. The technique is based upon a weak formulation of the equations of Maxwell and combines the flexibility of the elemental-based methods with the accuracy of the spectral based methods. The wave field on the elements is discretized using high-degree Lagrange interpolation and integration over an element is accomplished based upon the Gauss-Lobatto-Legendre integration rule. As a result, the mass matrix and the damping matrix are always diagonal, which drastically reduces the computational cost. We first develop the formulation of 2D spectral element method (SEM) in the time-domain based on Maxwell's equations. The presented formulation is with matrix notation that simplifies the implementation of the relations in computer programs, especially in MATLAB application. We discuss the differences between spectral element method and finite-element method in the time-domain. Also, we show that the SEM numerical dispersion is much lower than FEM. To absorb waves at the edges of the modeling domain, we implement first order Clayton and Engquist absorbing boundary conditions (CE-ABC) introduced in numerical finite-difference modeling of seismic wave propagation. We used the SEM to simulate a complex model to show its abilities and limitations. As well as, one distinct advantage of SEM is that we can easily define our model features in nodal points, because the integration points and the interpolation points are similar that makes it very flexible in simulation of complex models.

  18. A friction to flow constitutive law and its application to a 2-D modeling of earthquakes

    NASA Astrophysics Data System (ADS)

    Shimamoto, Toshihiko; Noda, Hiroyuki

    2014-11-01

    Establishment of a constitutive law from friction to high-temperature plastic flow has long been a challenging task for solving problems such as modeling earthquakes and plate interactions. Here we propose an empirical constitutive law that describes this transitional behavior using only friction and flow parameters, with good agreements with experimental data on halite shear zones. The law predicts steady state and transient behaviors, including the dependence of the shear resistance of fault on slip rate, effective normal stress, and temperature. It also predicts a change in velocity weakening to velocity strengthening with increasing temperature, similar to the changes recognized for quartz and granite gouge under hydrothermal conditions. A slight deviation from the steady state friction law due to the involvement of plastic deformation can cause a large change in the velocity dependence. We solved seismic cycles of a fault across the lithosphere with the law using a 2-D spectral boundary integral equation method, revealing dynamic rupture extending into the aseismic zone and rich evolution of interseismic creep including slow slip prior to earthquakes. Seismic slip followed by creep is consistent with natural pseudotachylytes overprinted with mylonitic deformation. Overall fault behaviors during earthquake cycles are insensitive to transient flow parameters. The friction-to-flow law merges "Christmas tree" strength profiles of the lithosphere and rate dependency fault models used for earthquake modeling on a unified basis. Strength profiles were drawn assuming a strain rate for the flow regime, but we emphasize that stress distribution evolves reflecting the fault behavior. A fault zone model was updated based on the earthquake modeling.

  19. 2D positive streamer modelling in NTP air under extreme pulse fronts. What about runaway electrons?

    NASA Astrophysics Data System (ADS)

    Marode, E.; Dessante, Ph; Tardiveau, P.

    2016-12-01

    Using a 2D model, an attempt is made to understand the properties and aspects of a diffuse discharge, appearing in a positive point-to-plane gap submitted to very high voltage pulses. After presenting the model, comparisons between the computed low and high pulse heights of 10 kV and 50 kV, respectively, will be shown and analysed. A streamer ionising wave is still formed, but its role in ionising a region of low field is replaced by the role of providing a plasma within which the electrons will benefit from the presence of a high electrical field meant to induce strong electron collision activities. A comparison between the aspect of the computed and experimental discharge carried out in the same conditions at 50 kV will be presented, which seems to be in agreement with the diffuse aspect. Although the difference in order of magnitude of the speed of development and the height of the current must be underlined, similarities between the structures of both situations will, however, be recognised. A high probability of obtaining highly energetic electrons and runaways (RAEs) will also be derived following a simple approach.

  20. Optimal implicit 2-D finite differences to model wave propagation in poroelastic media

    NASA Astrophysics Data System (ADS)

    Itzá, Reymundo; Iturrarán-Viveros, Ursula; Parra, Jorge O.

    2016-08-01

    Numerical modeling of seismic waves in heterogeneous porous reservoir rocks is an important tool for the interpretation of seismic surveys in reservoir engineering. We apply globally optimal implicit staggered-grid finite differences (FD) to model 2-D wave propagation in heterogeneous poroelastic media at a low-frequency range (<10 kHz). We validate the numerical solution by comparing it to an analytical-transient solution obtaining clear seismic wavefields including fast P and slow P and S waves (for a porous media saturated with fluid). The numerical dispersion and stability conditions are derived using von Neumann analysis, showing that over a wide range of porous materials the Courant condition governs the stability and this optimal implicit scheme improves the stability of explicit schemes. High-order explicit FD can be replaced by some lower order optimal implicit FD so computational cost will not be as expensive while maintaining the accuracy. Here, we compute weights for the optimal implicit FD scheme to attain an accuracy of γ = 10-8. The implicit spatial differentiation involves solving tridiagonal linear systems of equations through Thomas' algorithm.

  1. Beyond Flood Hazard Maps: Detailed Flood Characterization with Remote Sensing, GIS and 2d Modelling

    NASA Astrophysics Data System (ADS)

    Santillan, J. R.; Marqueso, J. T.; Makinano-Santillan, M.; Serviano, J. L.

    2016-09-01

    Flooding is considered to be one of the most destructive among many natural disasters such that understanding floods and assessing the risks associated to it are becoming more important nowadays. In the Philippines, Remote Sensing (RS) and Geographic Information System (GIS) are two main technologies used in the nationwide modelling and mapping of flood hazards. Although the currently available high resolution flood hazard maps have become very valuable, their use for flood preparedness and mitigation can be maximized by enhancing the layers of information these maps portrays. In this paper, we present an approach based on RS, GIS and two-dimensional (2D) flood modelling to generate new flood layers (in addition to the usual flood depths and hazard layers) that are also very useful in flood disaster management such as flood arrival times, flood velocities, flood duration, flood recession times, and the percentage within a given flood event period a particular location is inundated. The availability of these new layers of flood information are crucial for better decision making before, during, and after occurrence of a flood disaster. The generation of these new flood characteristic layers is illustrated using the Cabadbaran River Basin in Mindanao, Philippines as case study area. It is envisioned that these detailed maps can be considered as additional inputs in flood disaster risk reduction and management in the Philippines.

  2. A 2D mechanical-magneto-thermal model for direction-dependent magnetoelectric effect in laminates

    NASA Astrophysics Data System (ADS)

    Zhang, Shunzu; Yao, Hong; Gao, Yuanwen

    2017-04-01

    A two dimensional (2D) mechanical-magneto-thermal model of direction-dependent magnetoelectric (ME) effect in Terfenol-D/PZT/Terfenol-D laminated composites is established. The expressions of ME coefficient at low and resonance frequencies are derived by the average field method, respectively. The prediction of theoretical model presents a good agreement with the experimental data. The combined effect of orientation-dependent stress and magnetic fields, as well as operating temperature on ME coefficient is discussed. It is shown that ME effect presents a significantly nonlinear change with the increasing pre-stress under different loading angles. There exists an optimal angle and value of pre-stress corresponding to the best ME effect, improving the angle of pre-stress can get more prominent ME coupling than in x axis state. Note that an optimal angle of magnetic field gradually increases with the rise of pre-stress, which can further lead to the enhancement of ME coefficient. Meanwhile, reducing the operating temperature can enhance ME coefficient. Furthermore, resonance frequency, affected by pre-stress, magnetic field and temperature via ; ΔE effect;, can enhance ME coefficient about 100 times than that at low frequency.

  3. The success of Fermi gas model for overall scaling of 2D metal-to-insulator transition data

    NASA Astrophysics Data System (ADS)

    Cheremisin, M. V.

    2017-03-01

    The melting condition for two-dimensional Wigner solid (Platzman and Fukuyama, 1974) [14] is shown to contain an error of a factor of π. The analysis of experimental data for apparent 2D metal-to-insulator transition shows that the Wigner solidification (Tanatar and Ceperley, 1989) [16] has been never achieved. Within routine Fermi gas model both the metallic and insulating behavior of different 2D system for actual range of carrier densities and temperatures is explained.

  4. Robust initialization for 2D/3D registration of knee implant models to single-plane fluoroscopy

    NASA Astrophysics Data System (ADS)

    Hermans, J.; Claes, P.; Bellemans, J.; Vandermeulen, D.; Suetens, P.

    2007-03-01

    A fully automated initialization method is proposed for the 2D/3D registration of 3D CAD models of knee implant components to a single-plane calibrated fluoroscopy. The algorithm matches edge segments, detected in the fluoroscopy image, with pre-computed libraries of expected 2D silhouettes of the implant components. Each library entry represents a different combination of out-of-plane registration transformation parameters. Library matching is performed by computing point-based 2D/2D registrations in between each library entry and each detected edge segment in the fluoroscopy image, resulting in an estimate of the in-plane registration transformation parameters. Point correspondences for registration are established by template matching of the bending patterns on the contours. A matching score for each individual 2D/2D registration is computed by evaluating the transformed library entry in an edge-encoded (characteristic) image, which is derived from the original fluoroscopy image. A matching scores accumulator is introduced to select and suggest one or more initial pose estimates. The proposed method is robust against occlusions and partial segmentations. Validation results are shown on simulated fluoroscopy images. In all cases a library match is found for each implant component which is very similar to the shape information in the fluoroscopy. The feasibility of the proposed method is demonstrated by initializing an intensity-based 2D/3D registration method with the automatically obtained estimation of the registration transformation parameters.

  5. Hydraulic Modeling of Alluvial Fans along the Truckee Canal using the 2-Dimensional Model SRH2D

    NASA Astrophysics Data System (ADS)

    Wright, J.; Kallio, R.; Sankovich, V.

    2013-12-01

    Alluvial fans are gently sloping, fan-shaped landforms created by sediment deposition at the ends of mountain valleys. Their gentle slopes and scenic vistas are attractive to developers. Unfortunately, alluvial fans are highly flood-prone, and the flow paths of flood events are highly variable, thereby placing human developments at risk. Many studies have been performed on alluvial fans in the arid west because of the uncertainty of their flow paths and flood extents. Most of these studies have been focused on flood elevations and mitigation. This study is not focused on the flood elevations. Rather, it is focused on the attenuation effects of alluvial fans on floods entering and potentially failing a Reclamation canal. The Truckee Canal diverts water from the Truckee River to Lahontan Reservoir. The drainage areas along the canal are alluvial fans with complex distributary channel networks . Ideally, in nature, the sediment grain-size distribution along the alluvial fan flow paths would provide enough infiltration and subsurface storage to attenuate floods entering the canal and reduce risk to low levels. Human development, however, can prevent the natural losses from occurring due to concentrated flows within the alluvial fan. While the concentrated flows might mitigate flood risk inside the fan, they do not lower the flood risk of the canal. A 2-dimensional hydraulic model, SRH-2D, was coupled to a 1-dimensional rainfall-runoff model to estimate the flood attenuation effects of the alluvial fan network surrounding an 11 mile stretch of the Truckee Canal near Fernley, Nevada. Floods having annual exceedance probabilities ranging from 1/10 to 1/100 were computed and analyzed. SRH-2D uses a zonal approach for modeling river systems, allowing areas to be divided into separate zones based on physical parameters such as surface roughness and infiltration. One of the major features of SRH-2D is the adoption of an unstructured hybrid mixed element mesh, which is based

  6. Lithospheric architecture of the Levant Basin (Eastern Mediterranean region): A 2D modeling approach

    NASA Astrophysics Data System (ADS)

    Inati, Lama; Zeyen, Hermann; Nader, Fadi Henri; Adelinet, Mathilde; Sursock, Alexandre; Rahhal, Muhsin Elie; Roure, François

    2016-12-01

    This paper discusses the deep structure of the lithosphere underlying the easternmost Mediterranean region, in particular the Levant Basin and its margins, where the nature of the crust, continental versus oceanic, remains debated. Crustal thickness and the depth of the lithosphere-asthenosphere boundary (LAB) as well as the crustal density distribution were calculated by integrating surface heat flow data, free-air gravity anomaly, geoid and topography. Accordingly, two-dimensional, lithospheric models of the study area are discussed, demonstrating the presence of a progressively attenuated crystalline crust from E to W (average thickness from 35 to 8 km). The crystalline crust is best interpreted as a strongly thinned continental crust under the Levant Basin, represented by two distinct components, an upper and a lower crust. Further to the west, the Herodotus Basin is believed to be underlain by an oceanic crust, with a thickness between 6 and 10 km. The Moho under the Arabian Plate is 35-40 km deep and becomes shallower towards the Mediterranean coast. It appears to be situated at depths ranging between 20 and 23 km below the Levant Basin and 26 km beneath the Herodotus Basin, based on our proposed models. At the Levantine margin, the thinning of the crust in the transitional domain between the onshore and the offshore is gradual, indicating successive extensional regimes that did not reach the beak up stage. In addition, the depth to LAB is around 120 km under the Arabian and the Eurasian Plates, 150 km under the Levant Basin, and it plunges to 180 km under the Herodotus Basin. This study shows that detailed 2D lithosphere modeling using integrated geophysical data can help understand the mechanisms responsible for the modelled lithospheric architecture when constrained with geological findings.

  7. Adaptation of a 2-D Photochemical Model to Improve Our Understanding of Saturn's Atmosphere

    NASA Astrophysics Data System (ADS)

    Edgington, Scott G.; Simon-Miller, A. A.; Achterberg, R.; Bjoraker, G.; Romani, P.; Flasar, F. M.; Colwell, J.

    2006-09-01

    We report progress in adapting a two dimensional photochemical model to Saturn. Previously, this model was applied to Jupiter (Edgington, et al., 2001) to track tracers such as ammonia in the Jovian troposphere. The chemistry portion of this model has the ability to model ammonia, phosphine, and hydrocarbon photochemical families (Edgington, et al., 1999). The transport portion is based on the transport model used to model the evolution of materials deposited by Comet Shoemaker-Levy 9 (Friedson, et al., 1999). The model is used to look at the variation of several molecules in Saturn's atmosphere accounting for the filtering of ultraviolet photons by Saturn's rings as measured by Cassini/UVIS and the thermal structure observed by Cassini/CIRS. We compare results from this model to the abundances of several molecules, e.g. propane (Simon-Miller, et al., 2005) and phosphine, derived from Cassini/CIRS, HST/FOS, and ISO data sets. Composition differences between the northern ring-shadowed atmophere and the nominal sunlit atmosphere will be examined. More research into Saturn's zonal averaged meridional circulation is needed. Edgington, S.G., et al., 1999. Ammonia and eddy mixing variations in the southern hemisphere of Jupiter from HST Faint Object Spectrograph Observations. Icarus, 142, 342-357. Edgington, S.G., West, R.A., Friedson, A.J., and Atreya, S.K., 2001. A 2-D photochemical model with meridional circulation and microphysics. Jupiter: Planet, Satellites, and Magnetosphere - Boulder, CO, June 25-30. Friedson, A.J.; West, R.A.; Hronek, A.K.; Larsen, N.A.; and Dalal, N., 1999. Transport and Mixing in Jupiter's Stratosphere Inferred from Comet S-L9 Dust Migration. Icarus, 138, 141-156. Simon-Miller, A.A., et al., 2005. Cassini CIRS Measurements of Benzene, Propane and Carbon Dioxide on Saturn. B.A.A.S. 37, 682. The research described in this paper was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the

  8. Origin of strong dispersion in Hubbard insulators

    DOE PAGES

    Wang, Y.; Wohlfeld, K.; Moritz, B.; ...

    2015-08-10

    Using cluster perturbation theory, we explain the origin of the strongly dispersive feature found at high binding energy in the spectral function of the Hubbard model. By comparing the Hubbard and $t₋J₋3s$ model spectra, we show that this dispersion does not originate from either coupling to spin fluctuations ($∝ J$ ) or the free hopping ($∝ t$ ). Instead, it should be attributed to a long-range, correlated hopping $∝ t²/U$ which allows an effectively free motion of the hole within the same antiferromagnetic sublattice. This origin explains both the formation of the high-energy anomaly in the single-particle spectrum and themore » sensitivity of the high-binding-energy dispersion to the next-nearest-neighbor hopping $t'$ .« less

  9. Origin of strong dispersion in Hubbard insulators

    SciTech Connect

    Wang, Y.; Wohlfeld, K.; Moritz, B.; Jia, C. J.; van Veenendaal, M.; Wu, K.; Chen, C. -C.; Devereaux, T. P.

    2015-08-10

    Using cluster perturbation theory, we explain the origin of the strongly dispersive feature found at high binding energy in the spectral function of the Hubbard model. By comparing the Hubbard and $t₋J₋3s$ model spectra, we show that this dispersion does not originate from either coupling to spin fluctuations ($∝ J$ ) or the free hopping ($∝ t$ ). Instead, it should be attributed to a long-range, correlated hopping $∝ t²/U$ which allows an effectively free motion of the hole within the same antiferromagnetic sublattice. This origin explains both the formation of the high-energy anomaly in the single-particle spectrum and the sensitivity of the high-binding-energy dispersion to the next-nearest-neighbor hopping $t'$ .

  10. 2D Biotope Mapping Using Combined LIDAR, Topographic Survey And Segmented 1D Flow Modelling

    NASA Astrophysics Data System (ADS)

    Entwistle, N. S.; Heritage, G. L.; Milan, D. J.

    2009-12-01

    Reach averaged habitat availability models such as PHABSIM are limited due principally to their failure to adequately map hydraulic habitat distribution at a representative scale. A lack of morphologic data, represented in the form of sparse geometric cross-sections fails to generate the necessary detail. Advances in data collection, improved spatial modelling algorithms and the advent of cross-section based segmentation routines in 1D hydraulic models provides the opportunity to revisit the issue of hydraulic habitat mapping and modelling. This paper presents a combined technique for habitat characterisation at the sub-bar scale is presented for the River Rede, Northumberland, UK. Terrestrial LIDAR data of floodplain, banks and exposed bar surfaces at an average 0.05 m spacing are combined with sparser total station survey data of submerged morphologic features. These data are interpolated to create a uniform DEM grid at 0.2 m spacing (adequate to detect the smallest variation in hydraulic habitat in this system). The data grid were then imported into the HECRAS 1D hydraulic model to generate a 2 m spaced series of cross-sections along a 220 m sinuous single thread reach exhibiting pool - riffle point-bar morphology. The hydraulic segmentation routine then generated estimates of depth averaged flow velocity, flow depth and sub unit discharge for 40 sub-divisions of the flow width for a series of flows from 0.5 m3s-1 up to bankfull flow of approximately 9 m3s-1. The resultant hydraulic data were exported in the project coordinate system and plotted to reveal the 2D pattern of hydraulic biotopes present across the range of flows modelled. The results reveal broadly realistic patterns consistent with previous empirical studies and compare well with LIDAR based biotope maps. Analysis of the temporal pattern of biotope change indicates that biotope diversity and complexity is at a maximum at lower flows and across shallower area (riffles) and that these dominate the

  11. Numerical solution of polarization saturation/dielectric breakdown model in 2D finite piezoelectric media

    NASA Astrophysics Data System (ADS)

    Fan, Cui-Ying; Zhao, Ming-Hao; Zhou, You-He

    2009-09-01

    The polarization saturation (PS) model [Gao, H., Barnett, D.M., 1996. An invariance property of local energy release rates in a strip saturation model of piezoelectric fracture. Int. J. Fract. 79, R25-R29; Gao, H., Zhang, T.Y., Tong, P., 1997. Local and global energy release rates for an electrically yielded crack in a piezoelectric ceramic. J. Mech. Phys. Solids 45, 491-510], and the dielectric breakdown (DB) model [Zhang, T.Y., Zhao, M.H., Cao, C.F., 2005. The strip dielectric breakdown model. Int. J. Fract. 132, 311-327] explain very well some experimental observations of fracture of piezoelectric ceramics. In this paper, the nonlinear hybrid extended displacement discontinuity-fundamental solution method (NLHEDD-FSM) is presented for numerical analysis of both the PS and DB models of two-dimensional (2D) finite piezoelectric media under impermeable and semi-permeable electric boundary conditions. In this NLHEDD-FSM, the solution is expressed approximately by a linear combination of fundamental solutions of the governing equations, which includes the extended point force fundamental solutions with sources placed at chosen points outside the domain of the problem under consideration, and the extended Crouch fundamental solutions with extended displacement discontinuities placed on the crack and the electric yielding zone. The coefficients of the fundamental solutions are determined by letting the approximated solution satisfy certain conditions on the boundary of the domain, on the crack face and the electric yielding zone. The zero electric displacement intensity factor in the PS model or the zero electric field strength intensity factor in the DB model at the outer tips of the electric yielding zone is used as a supplementary condition to determine the size of the electric yielding zone. Iteration approaches are adopted in the NLHEDD-FSM. The electric yielding zone is determined, and the extended intensity factors and the local J-integral are calculated for

  12. Combining multitracing and 2D-modelling to identify the dynamic of heavy metals during flooding.

    NASA Astrophysics Data System (ADS)

    Hissler, C.; Hostache, R.; Matgen, P.; Tosheva, Z.; David, E.; Bates, P.; Stille, P.

    2012-04-01

    to assess the risk of floodplain contamination in heavy metal due to river sediment deposition and to heavy metal partitioning between particulate and dissolved phases. We focus on a multidisciplinary approach combining environmental geochemistry (multitracing) and hydraulic modelling (using TELEMAC-2D). One important single flood event was selected to illustrate this innovative approach. During the entire flood, the river water was sampled every hour in order to collect the particulate and the dissolved fractions. All the tracers were analyzed in both fractions. An important set of hydrological and sedimentological data are used to reach a more efficient calibration of the TELEMAC modelling system. In addition to standard techniques of hydrochemistry, new approaches of in situ suspended sediment transport monitoring will help getting new insights on the hydraulic system behaviour.

  13. Electrical resistivity tomography applied to a complex lava dome: 2D and 3D models comparison

    NASA Astrophysics Data System (ADS)

    Portal, Angélie; Fargier, Yannick; Lénat, Jean-François; Labazuy, Philippe

    2015-04-01

    The study of volcanic domes growth (e.g. St. Helens, Unzen, Montserrat) shows that it is often characterized by a succession of extrusion phases, dome explosions and collapse events. Lava dome eruptive activity may last from days to decades. Therefore, their internal structure, at the end of the eruption, is complex and includes massive extrusions and lava lobes, talus and pyroclastic deposits as well as hydrothermal alteration. The electrical resistivity tomography (ERT) method, initially developed for environmental and engineering exploration, is now commonly used for volcano structure imaging. Because a large range of resistivity values is often observed in volcanic environments, the method is well suited to study the internal structure of volcanic edifices. We performed an ERT survey on an 11ka years old trachytic lava dome, the Puy de Dôme volcano (French Massif Central). The analysis of a recent high resolution DEM (LiDAR 0.5 m), as well as other geophysical data, strongly suggest that the Puy de Dôme is a composite dome. 11 ERT profiles have been carried out, both at the scale of the entire dome (base diameter of ~2 km and height of 400 m) on the one hand, and at a smaller scale on the summit part on the other hand. Each profile is composed of 64 electrodes. Three different electrode spacing have been used depending on the study area (35 m for the entire dome, 10 m and 5 m for its summit part). Some profiles were performed with half-length roll-along acquisitions, in order to keep a good trade-off between depth of investigation and resolution. Both Wenner-alpha and Wenner-Schlumberger protocols were used. 2-D models of the electrical resistivity distribution were computed using RES2DINV software. In order to constrain inversion models interpretation, the depth of investigation (DOI) method was applied to those results. It aims to compute a sensitivity index on inversion results, illustrating how the data influence the model and constraining models

  14. Modelling 2001 lahars at Popocatépetl volcano using FLO2D numerical code

    NASA Astrophysics Data System (ADS)

    Caballero, L.; Capra, L.

    2013-12-01

    Popocatépetl volcano is located on the central part of the Transmexican Volcanic Belt. It is one of the most active volcanoes in Mexico and endanger more than 25 million people that lives in its surroundings. In the last months, the renewal of its volcanic activity put into alert scientific community. One of the possible scenarios is the 2001 explosive activity, which was characterized by a 8 km eruptive column and the subsequent formation of pumice flows up to 4 km from the crater. Lahars were generated few hours after, remobilizing the new deposits towards NE flank of the volcano, along Huiloac Gorge, almost reaching Santiago Xalitzintla town (Capra et al., 2004). The occurrence of a similar scenario makes very important to reproduce this event to delimitate accurately lahar hazard zones. In this work, 2001 lahar deposit is modeled using FLO2D numerical code. Geophone data is used to reconstruct initial hydrograph and sediment concentration. Sensitivity study of most important parameters used by this code like Manning, and α and β coefficients was conducted in order to achieve a good simulation. Results obtained were compared with field data and demonstrated a good agreement in thickness and flow distribution. A comparison with previously published data with laharZ program (Muñoz-Salinas, 2009) is also made. Additionally, lahars with fluctuating sediment concentrations but with similar volume are simulated to observe the influence of the rheological behavior on lahar distribution.

  15. Optimization of hybrid organic-inorganic interdigitated photovoltaic device structure using a 2D diffusion model.

    PubMed

    Krali, Emiljana; Curry, Richard J

    2011-04-26

    To improve the efficiency of organic photovoltaic devices the inclusion of semiconducting nanoparticles such as PbS has been used to enhance near-infrared absorption. Additionally the use of interdigitated heterojunctions has been explored as a means of improving charge extraction. In this paper we provide a two-dimensional model taking into account these approaches with the aim of predicting an optimized device geometry to maximize the efficiency. The steady-state exciton population has been calculated in each of the active regions taking into account the full optical response based on using a finite difference approach to obtain approximate numerical solutions to the 2D exciton diffusion equation. On the basis of this we calculate the contribution of each active material to the device short circuit current and power conversion efficiency. We show that optimized structures can lead to power conversions efficiencies of ∼50% compared to a maximum of ∼17% for planar heterojunction devices. To achieve this the interdigitated region thickness should be ∼800 nm with PbS and C(60) widths of ∼60 and 20 nm, respectively. Even modest nanopatterning using much thinner active regions provides improvements in efficiency and may be approached using a variety of methods including nanoimprinting lithography, nanotemplating, or the incorporation of presynthesized nanorod structures.

  16. Spot size variation FCS in simulations of the 2D Ising model.

    PubMed

    Burns, Margaret C; Nouri, Mariam; Veatch, Sarah L

    2016-06-02

    Spot variation fluorescence correlation spectroscopy (svFCS) was developed to study the movement and organization of single molecules in plasma membranes. This experimental technique varies the size of an illumination area while measuring correlations in time using standard fluorescence correlation methods. Frequently, this data is interpreted using the assumption that correlation measurements reflect the dynamics of single molecule motions, and not motions of the average composition. Here, we explore how svFCS measurements report on the dynamics of components diffusing within simulations of a 2D Ising model with a conserved order parameter. Simulated correlation functions report on both the fast dynamics of single component mobility and the slower dynamics of the average composition. Over a range of simulation conditions, a conventional svFCS analysis suggests the presence of anomalous diffusion even though single molecule motions are nearly Brownian in these simulations. This misinterpretation is most significant when the surface density of the fluorescent label is elevated, therefore we suggest future measurements be made over a range of tracer densities. Some simulation conditions reproduce qualitative features of published svFCS experimental data. Overall, this work emphasizes the need to probe membranes using multiple complimentary experimental methodologies in order to draw conclusions regarding the nature of spatial and dynamical heterogeneity in these systems.

  17. Modeling of two-storey precast school building using Ruaumoko 2D program

    SciTech Connect

    Hamid, N. H.; Tarmizi, L. H.; Ghani, K. D.

    2015-05-15

    The long-distant earthquake loading from Sumatra and Java Island had caused some slight damages to precast and reinforced concrete buildings in West Malaysia such as cracks on wall panels, columns and beams. Subsequently, the safety of existing precast concrete building is needed to be analyzed because these buildings were designed using BS 8110 which did not include the seismic loading in the design. Thus, this paper emphasizes on the seismic performance and dynamic behavior of precast school building constructed in Malaysia under three selected past earthquakes excitations ; El Centro 1940 North-South, El Centro East-West components and San Fernando 1971 using RUAUMOKO 2D program. This program is fully utilized by using prototype precast school model and dynamic non-linear time history analysis. From the results, it can be concluded that two-storey precast school building has experienced severe damage and partial collapse especially at beam-column joint under San Fernando and El Centro North-South Earthquake as its exceeds the allowable inter-storey drift and displacement as specified in Eurocode 8. The San Fernando earthquake has produced a massive destruction to the precast building under viscous damping, ξ = 5% and this building has generated maximum building displacement of 435mm, maximum building drift of 0.68% and maximum bending moment at 8458kNm.

  18. Modeling of two-storey precast school building using Ruaumoko 2D program

    NASA Astrophysics Data System (ADS)

    Hamid, N. H.; Tarmizi, L. H.; Ghani, K. D.

    2015-05-01

    The long-distant earthquake loading from Sumatra and Java Island had caused some slight damages to precast and reinforced concrete buildings in West Malaysia such as cracks on wall panels, columns and beams. Subsequently, the safety of existing precast concrete building is needed to be analyzed because these buildings were designed using BS 8110 which did not include the seismic loading in the design. Thus, this paper emphasizes on the seismic performance and dynamic behavior of precast school building constructed in Malaysia under three selected past earthquakes excitations ; El Centro 1940 North-South, El Centro East-West components and San Fernando 1971 using RUAUMOKO 2D program. This program is fully utilized by using prototype precast school model and dynamic non-linear time history analysis. From the results, it can be concluded that two-storey precast school building has experienced severe damage and partial collapse especially at beam-column joint under San Fernando and El Centro North-South Earthquake as its exceeds the allowable inter-storey drift and displacement as specified in Eurocode 8. The San Fernando earthquake has produced a massive destruction to the precast building under viscous damping, ξ = 5% and this building has generated maximum building displacement of 435mm, maximum building drift of 0.68% and maximum bending moment at 8458kNm.

  19. The specific edge effects of 2D core/shell model for spin-crossover nanoparticles

    NASA Astrophysics Data System (ADS)

    Muraoka, Azusa; Boukheddaden, Kamel; Linarès, Jorge; Varret, Francois

    2012-02-01

    We analyzed the size effect of spin-crossover nanoparticles at the edges of the 2D square lattices core/shell model, where the edge atoms are constrained to the high spin (HS) state. We performed MC simulations using the Ising-like Hamiltonian, [ H=-J∑(i,j)∑l i'=±1; j'=±1 S( i,j )S( i+i',j+j' ) +( δ2-kBT2g )∑(i,j)S( i,j ) ] The molar entropy change is δS 50J/K/mol, lng=δS/R 6 (R is the perfect gas constant), energy gap is δ=1300K. The HS fixed edges were based on the observation of an increasing residual HS fraction at low temperature upon particle size reduction. This specific boundary condition acts as a negative pressure which shifts downwards the equilibrium temperature. The interplay between the equilibrium temperature (=δ/kBlng) variation and the expected variation of the effective interactions in the system leads to a non-monotonous dependence of the hysteresis loop width upon the particle size. We described how the occurrence condition of the first-order transition has to be adapted to the nanoscale.

  20. 1D and 2D urban dam-break flood modelling in Istanbul, Turkey

    NASA Astrophysics Data System (ADS)

    Ozdemir, Hasan; Neal, Jeffrey; Bates, Paul; Döker, Fatih

    2014-05-01

    Urban flood events are increasing in frequency and severity as a consequence of several factors such as reduced infiltration capacities due to continued watershed development, increased construction in flood prone areas due to population growth, the possible amplification of rainfall intensity due to climate change, sea level rise which threatens coastal development, and poorly engineered flood control infrastructure (Gallegos et al., 2009). These factors will contribute to increased urban flood risk in the future, and as a result improved modelling of urban flooding according to different causative factor has been identified as a research priority (Gallegos et al., 2009; Ozdemir et al. 2013). The flooding disaster caused by dam failures is always a threat against lives and properties especially in urban environments. Therefore, the prediction of dynamics of dam-break flows plays a vital role in the forecast and evaluation of flooding disasters, and is of long-standing interest for researchers. Flooding occurred on the Ayamama River (Istanbul-Turkey) due to high intensity rainfall and dam-breaching of Ata Pond in 9th September 2009. The settlements, industrial areas and transportation system on the floodplain of the Ayamama River were inundated. Therefore, 32 people were dead and millions of Euros economic loses were occurred. The aim of this study is 1 and 2-Dimensional flood modelling of the Ata Pond breaching using HEC-RAS and LISFLOOD-Roe models and comparison of the model results using the real flood extent. The HEC-RAS model solves the full 1-D Saint Venant equations for unsteady open channel flow whereas LISFLOOD-Roe is the 2-D shallow water model which calculates the flow according to the complete Saint Venant formulation (Villanueva and Wright, 2006; Neal et al., 2011). The model consists a shock capturing Godunov-type scheme based on the Roe Riemann solver (Roe, 1981). 3 m high resolution Digital Surface Model (DSM), natural characteristics of the pond